data_1wfu_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 1wfu _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 ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 p -61.6 161.07 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -78.89 136.75 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.72 153.96 68.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -88.51 156.94 50.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.4 42.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 142.45 48.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.408 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 52.9 t -87.03 153.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.62 104.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.02 -81.15 0.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -86.0 133.75 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -121.59 109.53 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -111.8 148.84 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 25.6 p-80 -72.42 2.13 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -126.58 -7.51 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.72 174.02 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 82' ' ' LEU . 96.4 mt -141.13 121.37 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 34.2 tt0 -83.5 140.97 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.1 mt -140.75 142.48 34.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 43.2 p90 -149.4 117.86 6.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 38.0 p90 -113.68 41.55 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.95 27.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -110.27 8.04 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 3.7 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.2 m0 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.19 157.79 16.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -98.42 140.63 32.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.14 114.41 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -116.47 125.36 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -105.31 139.43 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 13.4 mt-10 -129.01 170.27 13.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -144.85 139.33 27.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -85.96 148.91 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -105.87 128.3 26.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -18.42 37.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.77 -36.42 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.48 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 32.4 mtm -97.5 1.23 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 36.48 32.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.3 t -128.7 162.7 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 63.7 m-85 -98.66 158.63 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.3 121.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.441 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 60.1 t -57.71 101.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.0 pt -78.84 -29.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.449 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.9 t80 -142.09 148.88 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -151.21 113.13 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.189 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.06 -159.2 21.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.0 -7.37 15.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 156.61 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 27.4 p -102.75 -13.85 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.9 ttm180 -111.46 159.86 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.477 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 63.7 t60 -167.01 141.21 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 33' ' ' GLU . 19.6 t -129.82 109.78 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.505 HG23 ' CE1' ' A' ' 90' ' ' PHE . 73.7 t -64.99 105.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -82.92 154.65 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.62 80.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 75.0 mt -135.42 171.85 13.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.7 153.59 49.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 136.57 33.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 62.02 38.96 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.605 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 24.0 m -122.74 136.69 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 tp -89.67 148.07 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 66.9 m-85 -142.06 133.77 26.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 31.6 m-85 -137.63 139.23 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.502 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 12.2 ptm180 -117.03 130.88 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.4 tp -94.86 123.97 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -113.24 144.95 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.76 148.2 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -136.34 116.28 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -55.57 158.67 5.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 2.77 3.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 m -105.76 -32.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.6 -35.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.53 154.3 6.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -157.84 146.34 19.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 25.7 mm-40 -130.47 -175.03 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -137.24 146.05 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -92.99 157.68 38.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.21 8.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -37.28 136.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.7 m -124.96 102.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.0 p -86.75 128.2 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.8 m -136.37 137.87 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.67 128.1 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 32' ' ' ILE . 33.9 p -65.78 -179.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 22.6 p -93.52 169.13 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -78.57 150.8 32.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 17' ' ' SER . 4.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 78.8 p -79.97 137.09 36.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -54.59 133.49 64.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.448 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.7 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 158.42 56.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.53 38.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.18 42.22 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -81.59 160.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -117.69 96.46 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.81 -87.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -83.99 128.05 34.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 13.6 p -121.24 105.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.505 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 54.5 p -110.11 174.2 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 7.2 p-80 -89.71 9.11 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.505 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.6 p80 -123.81 -28.43 3.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 77.5 p -155.98 165.35 36.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 111' ' ' THR . 48.4 mt -126.29 127.75 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CG2' ' A' ' 78' ' ' VAL . 8.9 tp10 -83.27 140.03 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 28.4 mt -140.9 131.88 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 50.9 p90 -143.04 118.77 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -117.09 31.75 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -77.26 41.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.6 mm? -117.83 -12.98 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.6 m0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.49 161.33 18.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -106.47 148.71 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -134.39 115.74 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -122.82 122.43 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 57' ' ' GLU . 8.5 mm -99.85 149.6 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 2.3 mp0 -138.56 165.71 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 141.5 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -90.36 158.32 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.5 m-20 -112.8 128.59 25.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -26.5 27.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' NZ ' ' HE3' ' A' ' 63' ' ' MET . 4.8 ptmm? -97.96 -43.55 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 7.4 mmt -79.1 -35.62 41.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 3.1 m170 72.39 25.35 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -127.59 158.55 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 47.4 m-85 -99.88 155.91 17.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.96 137.14 6.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.12 97.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.2 pt -77.72 -32.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 82.7 t80 -142.65 143.38 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.8 t -151.6 121.45 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.25 -151.97 11.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.84 25.91 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.67 178.97 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 19.2 p -120.53 -29.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -97.68 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.5 t60 -170.44 107.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.504 ' CG2' ' OE1' ' A' ' 33' ' ' GLU . 57.2 t -91.4 91.83 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -47.69 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -85.16 170.48 12.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.11 79.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 92.1 mt -137.97 161.92 35.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -106.83 153.7 40.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.657 0.742 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.65 38.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 56.9 46.67 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.2 m -130.18 136.2 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 1.8 tm? -85.38 141.5 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 59.3 m-85 -138.66 114.05 9.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 29.4 mttm -91.21 133.32 35.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 54.3 m-85 -132.29 149.15 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.52 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 11.9 ptm180 -124.73 126.92 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.1 tp -90.81 130.83 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -117.49 149.34 40.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -141.29 145.9 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -142.29 118.55 10.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 159.79 33.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.66 0.743 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.27 2.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 m -103.62 -34.48 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.4 -36.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' C ' HD21 ' A' ' 16' ' ' LEU . 19.6 mt-10 -53.86 151.35 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.433 ' N ' HD21 ' A' ' 16' ' ' LEU . 43.7 p90 -158.45 155.22 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 2.7 mm-40 -145.07 -179.83 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -131.23 152.33 50.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.34 159.78 29.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 120.0 6.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.6 t -38.77 137.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 m -127.16 102.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 3.1 p -83.99 125.54 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.6 126.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.01 125.74 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 32' ' ' ILE . 78.2 p -64.54 178.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.0 p -94.56 175.38 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 14.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 p -83.71 154.86 23.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -60.97 137.26 93.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.68 150.14 68.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 158.64 68.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.82 33.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.381 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.63 58.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.48 155.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -111.59 110.33 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.74 -97.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -75.34 126.94 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -114.58 98.22 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 4.6 p -104.42 152.03 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 25.1 p-80 -73.94 3.9 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.9 p80 -124.23 -3.69 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.8 p -175.31 167.73 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 82' ' ' LEU . 96.7 mt -131.68 126.74 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.63 139.01 31.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -140.21 142.68 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -152.25 126.11 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 75' ' ' THR . 39.0 p90 -125.49 19.7 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.35 -28.02 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' H ' ' CD1' ' A' ' 38' ' ' LEU . 7.1 mp -40.2 -48.95 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 3.1 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.2 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD1' ' HD3' ' A' ' 97' ' ' PRO . 3.4 mp -95.07 151.43 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -98.08 146.12 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -131.14 120.24 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -117.04 136.85 52.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.6 mm -114.58 128.03 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 47.1 mt-10 -111.27 172.93 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 pp20? -148.37 131.38 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.7 tt0 -84.05 151.22 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 21.9 m-20 -107.82 132.9 20.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.19 37.06 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 -28.26 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' SER . 6.5 mmt -106.55 -2.35 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 38.12 26.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.0 t -121.12 154.26 36.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 67.5 m-85 -95.01 158.59 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.57 111.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.446 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 19.2 pt -95.38 -33.09 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.446 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 87.8 t80 -139.47 144.39 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.08 114.93 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.44 -151.45 7.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -123.23 25.78 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.954 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 174.19 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 49.4 p -113.11 -31.83 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 30.2 ttp180 -93.64 154.39 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 74.7 t60 -161.85 117.25 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -106.81 98.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.16 114.73 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -95.61 -175.97 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.0 52.93 39.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 31.4 mt -114.8 161.63 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -105.46 155.86 37.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 53.85 50.5 16.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.445 HG21 ' CE2' ' A' ' 88' ' ' TYR . 32.2 m -131.79 130.43 41.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.0 tm? -74.57 142.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 50.1 m-85 -142.02 114.33 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 14.2 mtmt -90.05 145.45 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 59.3 m-85 -146.94 151.78 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -123.66 147.09 47.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.3 tp -109.44 111.23 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 26.2 tttt -102.89 144.04 31.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.3 m -139.02 138.31 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -125.72 110.28 13.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -53.98 158.41 3.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.694 0.759 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 54.4 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.382 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -100.69 -33.32 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.65 -24.08 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -69.53 154.67 41.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -158.01 158.7 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -151.64 175.88 11.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 8.7 m-85 -125.7 150.48 47.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.45 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -94.24 165.44 17.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.1 Cg_endo -69.73 119.01 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -34.72 139.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 m -124.56 102.71 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 8.7 p -85.23 125.51 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.56 129.36 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 122.56 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.2 p -63.99 179.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 31.7 p -95.55 179.42 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -86.66 153.92 21.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -74.7 135.88 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 10.1 mtmt -53.82 140.82 49.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 156.91 62.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.43 157.24 47.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.68 40.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.57 65.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.667 2.245 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.485 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 61.7 t -90.93 156.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 27' ' ' VAL . 55.5 t -113.12 97.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.26 -82.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -85.94 127.12 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 24' ' ' VAL . 60.1 t -116.69 108.07 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 24.6 p -112.21 151.85 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 20.2 p-80 -73.71 3.57 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 1.6 p80 -122.38 -7.22 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' THR . 52.6 p -170.66 177.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 82' ' ' LEU . 95.4 mt -140.31 121.59 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -81.53 136.12 35.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 mt -138.83 144.77 39.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 54.4 p90 -151.37 121.73 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.3 p90 -116.85 20.4 13.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.09 -19.83 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -48.42 -59.64 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.4 m0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 11.5 mt -96.11 142.4 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -85.53 132.35 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.88 113.76 21.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -117.18 115.13 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mm -93.69 146.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 49.1 mt-10 -132.72 172.14 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' OE1' ' CG2' ' A' ' 69' ' ' ILE . 6.0 pt-20 -144.79 139.61 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.516 ' OE2' ' CZ ' ' A' ' 66' ' ' TYR . 39.9 tt0 -93.65 155.54 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.42 129.57 23.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -19.67 35.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -104.4 -37.87 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.1 mtt -93.23 -6.96 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.5 m170 42.95 28.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -120.43 159.48 25.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.516 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 65.1 m-85 -102.27 152.88 20.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.09 141.98 9.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.33 113.83 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 20.6 pt -92.77 -31.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 80.7 t80 -142.65 145.25 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -150.38 116.9 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 -149.64 7.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -123.31 22.64 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.923 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.78 -179.36 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 79.1 p -117.68 -41.08 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 21.8 ttm105 -86.47 159.6 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.1 t60 -166.98 109.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.43 101.44 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.88 103.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.67 172.32 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.1 64.21 4.25 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 88' ' ' TYR . 30.9 mt -125.63 163.39 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.89 150.23 37.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.07 31.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 5.2 mmm180 62.19 40.36 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.9 m -124.69 144.7 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -93.84 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 82' ' ' LEU . 68.2 m-85 -141.5 138.51 32.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 53.4 mttt -107.86 138.52 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 42.8 m-85 -144.14 135.2 25.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.413 ' NH2' ' CB ' ' A' ' 66' ' ' TYR . 17.3 ptt180 -116.18 135.96 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.19 129.79 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -118.68 153.81 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.48 146.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.2 m -136.92 111.08 8.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.464 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 p -54.48 156.07 6.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.37 -28.33 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.79 -33.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -55.51 149.28 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -157.99 149.73 21.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 10.7 mm-40 -139.49 -175.69 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -136.13 147.56 47.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.38 159.25 31.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.34 6.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 3.1 p -42.39 140.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.8 m -124.35 102.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.3 p -82.01 131.1 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.79 144.03 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.6 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.7 p -67.89 179.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -91.67 178.97 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -88.12 139.95 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 10.7 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 102' ' ' GLU . 1.2 pt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -66.3 152.54 44.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -77.67 134.54 65.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.44 60.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.529 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -93.25 158.24 37.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.91 41.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.33 62.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 61.1 t -89.6 149.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 34' ' ' LEU . 88.2 t -108.22 95.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.85 -82.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -84.03 136.31 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.04 103.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.462 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 68.1 p -110.39 171.27 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.514 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 9.4 p-80 -88.9 7.65 33.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 8.6 p80 -120.5 -29.57 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -153.52 173.46 15.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -132.73 126.81 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.29 139.7 32.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 24' ' ' VAL . 13.6 mt -144.79 142.0 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 54.1 p90 -151.66 122.03 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 75' ' ' THR . 33.9 p90 -111.3 10.25 21.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' TRP . 8.0 mt -42.5 -55.39 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 12.9 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.0 m0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.78 158.72 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -108.3 146.21 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 94' ' ' VAL . 41.9 m-85 -131.12 111.24 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 m -112.95 112.02 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' A' ' 92' ' ' LEU . 34.1 mm -91.52 142.08 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 32.1 mt-10 -130.68 167.6 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -138.96 140.36 38.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 33.2 tt0 -83.73 160.26 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.4 t0 -113.48 123.6 32.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD2' ' OD1' ' A' ' 60' ' ' ASP . 54.0 Cg_endo -69.75 -20.13 35.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG2' ' OD1' ' A' ' 60' ' ' ASP . 5.3 ptmm? -111.89 -44.29 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.485 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 15.5 mmt -80.65 -18.19 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 53.27 36.43 22.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -132.63 155.2 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 60.9 m-85 -95.85 151.38 19.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.46 134.72 5.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -68.31 97.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 70' ' ' TYR . 44.6 pt -75.06 -36.52 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.2 t80 -142.79 144.38 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -151.69 114.55 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.8 -149.29 6.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.96 26.77 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.74 -174.97 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 28.4 p -120.81 -40.54 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 29.4 ttp180 -91.2 158.54 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.7 t60 -165.55 108.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.62 100.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.1 t -60.81 109.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.76 174.59 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.71 57.31 20.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 81.9 mt -120.43 158.35 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -105.94 157.95 33.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.7 54.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 52.55 45.88 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.568 HG23 ' CE2' ' A' ' 88' ' ' TYR . 79.6 m -126.52 133.71 51.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.2 tm? -84.75 142.08 30.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 86' ' ' THR . 60.6 m-85 -142.51 114.45 8.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 61.2 mttt -90.0 135.25 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 29.7 m-85 -133.56 137.23 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.566 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 13.2 ptm180 -117.8 129.46 55.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 56' ' ' ILE . 24.6 tp -91.55 128.61 37.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -118.41 144.47 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.429 HG13 ' CD1' ' A' ' 54' ' ' PHE . 3.4 m -135.19 147.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.7 m -139.29 114.44 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 159.64 7.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 1.5 4.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 t -103.75 -35.6 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.75 -34.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.33 149.84 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' N ' HD23 ' A' ' 16' ' ' LEU . 41.6 p90 -158.17 140.75 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' N ' HD21 ' A' ' 16' ' ' LEU . 9.7 mm-40 -126.74 -175.05 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -137.62 144.48 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -93.64 161.28 30.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.75 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.4 t -40.87 138.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.5 m -123.84 102.41 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.456 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 26.3 p -85.64 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.419 ' N ' HD21 ' A' ' 87' ' ' LEU . 15.9 m -138.33 131.56 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.31 124.46 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.2 p -62.64 179.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.2 p -96.37 -177.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 162.55 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.514 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 18.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' A' ' 102' ' ' GLU . 3.9 pp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 p -79.17 128.81 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -44.11 138.81 3.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -84.59 157.23 61.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.0 41.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 141.03 44.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 42.2 t -83.64 153.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.8 t -114.5 97.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.85 -83.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -85.04 130.38 34.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG12 ' CG2' ' A' ' 112' ' ' THR . 8.1 p -118.86 106.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.495 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 21.6 p -107.47 160.47 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 56.2 p-80 -81.03 5.41 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.495 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.3 p80 -124.74 -16.18 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.2 p -161.31 171.62 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 82' ' ' LEU . 30.1 mt -132.6 126.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.07 140.98 36.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 mt -142.01 140.01 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.579 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 38.8 p90 -152.22 120.53 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.496 ' CH2' HG13 ' A' ' 56' ' ' ILE . 44.7 p90 -124.9 39.5 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -80.36 18.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.99 -41.49 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.5 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.72 145.0 27.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -86.06 151.13 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.05 118.18 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 m -120.65 114.6 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.496 HG13 ' CH2' ' A' ' 36' ' ' TRP . 25.1 mm -97.63 143.65 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 91' ' ' ARG . 5.2 mp0 -133.21 171.82 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.4 pt-20 -145.07 143.42 30.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 51.5 tt0 -92.34 156.82 16.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' HIS . 23.2 m-20 -113.12 127.46 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.02 37.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.0 -36.06 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 30.1 mmt -96.56 -3.08 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' ASP . 14.4 m-70 39.4 26.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.4 m -121.92 164.64 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 76.2 m-85 -105.77 170.19 8.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 131.68 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.67 104.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 41.0 pt -85.1 -30.91 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.528 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 54.3 t80 -143.15 143.14 31.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -152.51 129.51 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.39 -150.11 13.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.18 23.05 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.964 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.82 166.49 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 75.0 p -109.89 -24.01 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 34.1 ttm-85 -99.07 159.55 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 78.5 t60 -165.78 159.69 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.3 t -147.43 117.65 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' A' ' 90' ' ' PHE . 72.9 t -81.66 107.94 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.37 178.62 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.51 72.72 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.573 HD23 ' CE2' ' A' ' 88' ' ' TYR . 67.9 mt -130.31 169.33 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.35 149.72 39.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.697 0.761 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.427 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.8 138.98 38.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 58.65 38.84 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.565 HG23 ' CE1' ' A' ' 88' ' ' TYR . 16.6 m -123.0 144.35 49.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.89 146.97 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE2' HD23 ' A' ' 82' ' ' LEU . 47.4 m-85 -139.26 138.26 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -108.78 136.13 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 36.7 m-85 -139.9 144.21 37.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLU . 5.7 ptm180 -122.62 130.88 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' SER . 12.5 tp -96.88 131.33 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.581 ' CD ' ' CE1' ' A' ' 103' ' ' TYR . 2.3 tttm -118.03 144.53 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 1.5 m -133.76 138.77 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -121.86 108.09 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 4.4 p -52.96 155.46 4.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 4.39 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 m -103.9 -28.16 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.64 -21.88 3.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.51 160.53 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.43 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 14.3 p90 -155.84 170.08 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.471 ' CG ' HD12 ' A' ' 16' ' ' LEU . 43.3 mm-40 -159.5 169.3 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' CD ' ' A' ' 93' ' ' LYS . 4.4 m-85 -119.63 151.2 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.2 p -92.83 160.44 34.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' VAL . 53.4 Cg_endo -69.73 120.52 7.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' PRO . 86.2 t -36.29 130.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.5 m -120.56 102.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.4 p -86.54 128.96 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.66 139.98 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.26 130.46 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 p -66.54 -174.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.401 ' CG2' HG12 ' A' ' 27' ' ' VAL . 72.3 p -98.98 170.55 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -76.76 150.4 36.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 76.3 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 102' ' ' GLU . 4.5 pp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.15 159.04 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -59.77 136.31 89.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.77 147.59 63.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' ND1' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -79.4 157.06 75.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.42 45.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.89 68.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.322 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 59.3 t -91.46 153.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG21 ' CG1' ' A' ' 109' ' ' VAL . 98.4 t -108.57 95.16 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.14 -85.89 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -82.71 134.53 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' HG22 ' A' ' 112' ' ' THR . 90.3 t -122.43 111.27 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 75.6 p -118.64 157.59 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.635 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 18.6 p-80 -80.85 6.81 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.5 p80 -124.54 -21.26 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -153.52 178.02 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 82' ' ' LEU . 96.9 mt -142.35 121.72 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -81.87 140.75 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 mt -141.44 134.87 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 50.4 p90 -144.17 124.43 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.482 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.8 p90 -121.49 21.67 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -51.67 -22.87 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -43.01 -71.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.7 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.2 m0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 13.2 mt -90.9 156.14 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -98.25 147.56 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -137.95 112.03 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -106.41 136.05 46.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.87 119.18 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.44 172.0 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -142.43 135.19 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.99 165.21 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.93 132.32 24.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -22.9 31.64 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -101.33 -45.53 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 21.1 mtt -79.8 -24.62 41.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 56.9 36.67 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -137.91 158.18 44.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 96.6 m-85 -95.11 157.25 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.53 125.68 2.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.6 t -61.4 96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.443 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 38.6 pt -77.82 -29.71 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -143.04 143.58 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.73 114.11 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.43 -149.61 6.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -125.69 25.32 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.57 173.59 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 64.6 p -109.21 -37.72 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 7.9 ttm105 -88.47 154.14 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.5 t60 -165.09 120.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -107.49 103.78 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.01 107.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.89 163.81 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.87 67.08 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 69.2 mt -126.49 159.05 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -101.57 152.09 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.22 39.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 55.89 48.2 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.7 m -130.84 138.6 49.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.5 tm? -83.49 143.57 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 60.2 m-85 -142.43 113.63 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 33.7 mtmt -88.58 138.96 30.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 58.4 m-85 -140.9 131.39 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 5.6 ptm85 -109.34 128.43 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.49 130.49 37.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 9.8 tttt -115.31 155.01 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -146.78 139.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.1 m -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.9 m -60.55 159.15 26.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.753 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -106.49 -34.07 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.78 -34.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' C ' HD21 ' A' ' 16' ' ' LEU . 33.6 mt-10 -51.46 145.95 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -158.49 148.83 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.471 ' CG ' HD11 ' A' ' 16' ' ' LEU . 7.0 mm-40 -142.31 -176.65 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 31.7 m-85 -132.74 145.89 51.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.413 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.88 161.38 31.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.725 0.774 . . . . 0.0 110.808 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.82 117.5 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.6 p -40.27 129.49 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.7 m -115.68 107.23 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 53.5 p -88.79 118.02 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.46 ' N ' HD21 ' A' ' 87' ' ' LEU . 28.4 m -126.46 133.38 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.99 129.96 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.43 HG22 ' CG1' ' A' ' 32' ' ' ILE . 63.2 p -64.82 -174.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 54.1 p -101.91 173.07 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.65 146.39 38.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.635 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 11.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.91 140.34 55.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 9.1 mtmt -54.31 136.81 60.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.65 147.17 62.95 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.494 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -80.22 157.99 72.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.73 48.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 141.46 45.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 21.8 t -84.06 151.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.46 103.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.83 -80.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.84 131.49 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -123.52 112.73 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 47.4 p -115.96 154.48 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 13.8 p-80 -74.4 4.45 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 2.5 p80 -122.95 -19.1 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -160.27 167.3 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -129.44 131.75 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -89.44 135.73 33.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -141.12 136.2 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.0 p90 -144.15 127.28 16.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.473 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 37.5 p90 -124.07 41.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.57 19.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.97 -11.24 33.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.494 ' CD ' ' CE1' ' A' ' 20' ' ' HIS . 11.3 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.3 m0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.77 165.19 25.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -107.95 138.72 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -122.7 120.09 32.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -120.25 130.82 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -108.16 132.65 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 20.5 mt-10 -121.16 153.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.1 pp20? -122.88 134.09 54.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 27.2 tt0 -83.28 153.67 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 20.7 m-20 -113.65 127.07 27.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.06 28.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -99.75 -31.56 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.608 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 7.5 mmt -100.95 4.61 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 63' ' ' MET . 1.5 p-80 30.67 37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 t -134.38 163.09 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 93.2 m-85 -101.15 167.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.77 126.97 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.3 t -59.15 101.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 31.2 pt -84.7 -33.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 69.1 t80 -139.38 145.1 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -152.05 112.18 4.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.84 -158.02 15.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.71 21.73 14.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.83 169.42 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.473 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 26.8 p -109.48 -21.18 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.3 ttp180 -104.61 157.02 17.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 44.5 t60 -163.91 112.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.6 t -100.83 98.98 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.27 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -89.14 166.51 13.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.02 68.88 1.49 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 76.7 mt -129.12 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -103.6 153.88 38.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.22 42.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 56.9 46.21 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -128.81 134.21 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 1.5 tm? -82.22 142.83 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 51.7 m-85 -140.74 114.67 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 62.3 mttt -88.31 138.34 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 51.6 m-85 -138.11 141.76 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 14.4 ptm180 -123.56 130.88 53.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.8 tp -92.4 128.69 38.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 27.8 tttt -118.15 151.73 37.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.66 141.2 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 m -128.62 109.11 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -51.63 155.5 2.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.32 2.86 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -107.15 -29.01 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.52 -30.4 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.15 152.95 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -158.06 143.43 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.419 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 5.7 mm-40 -130.69 179.97 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.406 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 29.8 m-85 -134.41 141.75 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -92.61 159.22 36.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.73 5.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 4.7 p -40.46 142.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.8 m -124.47 102.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.416 ' CB ' HD23 ' A' ' 87' ' ' LEU . 2.5 p -84.25 117.49 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.3 m -130.78 129.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.07 132.85 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -68.51 -175.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.9 p -97.18 -174.82 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -99.36 132.09 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -73.67 155.92 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -75.52 132.14 76.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 137.87 36.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CD2' ' CD ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -72.68 162.89 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.59 42.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.41 42.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.2 t -88.32 160.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -116.4 108.54 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.81 -88.05 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 85.1 tttt -79.9 139.05 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.67 113.84 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.438 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 60.7 p -123.9 153.06 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 17.6 p-80 -74.75 5.55 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 17.2 p80 -122.63 -8.29 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -173.32 169.58 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 111' ' ' THR . 68.0 mt -132.44 127.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.417 ' HB3' ' N ' ' A' ' 26' ' ' LYS . 22.4 tt0 -80.46 139.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -143.56 128.87 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 32.2 p90 -136.21 130.43 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CG ' HD23 ' A' ' 92' ' ' LEU . 44.6 p90 -124.48 34.22 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.32 -2.52 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' TRP . 34.0 mt -68.61 -24.07 64.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.608 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 6.2 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 m0 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp -92.23 158.25 16.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -100.13 145.46 27.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.4 m-85 -130.85 118.61 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -117.04 113.53 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mm -94.99 127.53 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 17.6 mt-10 -117.37 168.21 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.12 134.06 43.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -90.3 153.42 20.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' HIS . 8.4 m-20 -116.42 128.5 25.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.24 36.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -103.31 -37.86 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mmt -93.42 -10.16 36.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.5 m-70 45.71 26.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -119.32 161.6 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -101.78 153.02 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.22 123.5 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 76.1 t -64.62 99.92 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 pt -81.35 -32.04 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 70.5 t80 -142.6 144.21 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 t -150.77 113.14 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.36 -148.88 6.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -122.97 21.62 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.23 179.69 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 70.9 p -118.28 -36.06 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.5 ttp180 -96.34 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.459 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 59.6 t60 -164.28 109.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.38 101.02 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 90' ' ' PHE . 79.1 t -58.77 107.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -88.57 167.51 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.51 61.13 6.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 62.8 mt -120.23 163.12 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -103.8 151.53 38.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.54 40.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 57.34 41.98 25.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.585 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 m -125.34 144.25 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 tp -93.5 147.49 22.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.585 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 61.6 m-85 -142.35 139.7 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 27.7 mttm -106.22 132.0 52.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.9 m-85 -139.93 131.97 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.553 HH12 ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -111.64 173.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 36' ' ' TRP . 12.6 tp -133.21 108.11 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 55.4 tttt -101.35 140.33 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 54' ' ' PHE . 1.8 m -129.5 148.44 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.0 m -135.53 104.97 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.2 m -45.94 153.15 0.68 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.23 2.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -105.17 -27.65 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.53 -27.12 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' SER . 68.7 mm-40 -67.39 156.77 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -158.17 162.3 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -145.92 -175.58 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 9.8 m-85 -139.81 140.42 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.553 ' N ' HH12 ' A' ' 91' ' ' ARG . 1.7 p -92.79 157.88 38.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 11.6 p -38.29 146.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 90' ' ' PHE . 4.0 m -132.72 102.82 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.9 p -78.48 138.51 38.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.6 m -145.14 141.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.48 128.43 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 32' ' ' ILE . 42.7 p -68.54 -175.3 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.6 p -97.84 -176.18 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -90.25 150.2 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -77.4 166.26 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -81.85 134.31 50.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.81 159.07 54.72 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 162.98 23.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.841 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.26 47.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.6 t -85.25 151.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.98 103.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.99 -77.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.79 130.87 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.91 112.68 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 49.0 p -114.51 151.73 32.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 29.7 p-80 -73.74 2.18 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.1 p80 -121.7 -12.04 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -166.48 169.09 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CD1' HG22 ' A' ' 109' ' ' VAL . 65.3 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -81.72 130.28 35.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.6 mt -134.76 141.85 46.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 23.0 p90 -150.25 125.42 10.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.3 p90 -118.27 33.17 5.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -74.6 44.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 36' ' ' TRP . 2.6 mm? -114.3 -29.41 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 54' ' ' PHE . 14.7 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.3 m0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 27.2 mt -75.32 143.77 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.9 ttm180 -80.31 151.51 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 19.4 m-85 -138.27 112.35 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -119.02 130.25 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.2 mm -103.98 149.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 91' ' ' ARG . 1.7 mp0 -139.58 171.85 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 12.1 pt-20 -149.15 139.51 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 41.8 tt0 -87.38 152.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.77 131.13 21.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -102.12 -41.0 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.6 mmt -89.41 -8.1 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 41.6 37.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -135.86 158.61 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 74.4 m-85 -97.97 150.15 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 124.79 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.49 105.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 47.5 pt -83.65 -33.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -142.61 150.07 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -150.3 121.48 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.11 -160.72 33.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -104.35 -16.13 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.82 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.477 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -111.01 -28.95 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.458 ' NH2' ' CG2' ' A' ' 78' ' ' VAL . 35.9 ttt-85 -99.97 156.71 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -164.37 113.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.458 ' CG2' ' NH2' ' A' ' 76' ' ' ARG . 53.7 t -100.79 96.69 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.69 107.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -86.91 169.37 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.17 61.01 7.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 37.3 mt -120.54 161.01 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -104.46 158.73 31.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.94 52.45 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.518 ' NE ' ' CG ' ' A' ' 113' ' ' ARG . 10.0 mmt180 45.08 44.66 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 m -119.9 132.22 55.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.3 tm? -80.49 138.2 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 59.4 m-85 -139.36 112.77 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -88.33 137.77 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 34.7 m-85 -136.89 138.88 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' CG ' ' OE1' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -117.0 128.24 54.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.0 128.19 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -116.24 146.22 42.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.78 146.05 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -133.43 118.82 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -60.07 161.21 13.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 52' ' ' LEU . 53.4 Cg_endo -69.8 -0.01 6.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -103.2 -36.37 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.6 -31.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -55.44 152.65 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -156.07 140.89 17.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 5.9 mm-40 -125.88 -175.7 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.29 146.71 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -93.09 160.04 34.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.34 9.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 107' ' ' VAL . 89.3 t -39.04 137.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' N ' HG12 ' A' ' 106' ' ' VAL . 30.0 m -125.58 103.54 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 10.4 p -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.47 ' N ' HD21 ' A' ' 87' ' ' LEU . 20.3 m -124.43 128.49 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.13 126.89 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.2 p -66.35 -174.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -100.94 -178.24 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.518 ' CG ' ' NE ' ' A' ' 85' ' ' ARG . 17.5 mtm105 -77.18 162.45 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.561 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 22.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD13 ' CG ' ' A' ' 102' ' ' GLU . 4.0 pp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -77.44 129.99 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -44.75 140.37 3.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.07 13.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -105.3 157.56 34.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 138.75 38.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 140.77 43.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 15.2 t -84.27 154.71 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG22 ' CD2' ' A' ' 34' ' ' LEU . 93.5 t -111.24 95.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.23 -86.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -82.57 134.57 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 112' ' ' THR . 10.1 p -121.71 104.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' CE1' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -108.61 164.35 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 112' ' ' THR . 49.5 p-80 -85.97 8.06 21.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' CE1' HG22 ' A' ' 28' ' ' THR . 4.8 p80 -126.35 -12.62 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -166.38 172.69 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.49 126.71 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -83.46 137.71 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' CD2' HG22 ' A' ' 24' ' ' VAL . 38.3 mt -140.82 139.47 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.4 p90 -148.25 123.79 10.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.5 p90 -121.4 38.64 4.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.16 24.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 5.6 mp -96.3 -28.27 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.6 m0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.24 164.23 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -104.44 151.95 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -134.26 115.02 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -116.41 114.05 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 92' ' ' LEU . 14.7 mm -95.98 132.77 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 8.7 mt-10 -126.8 167.96 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.1 tt0 -146.35 150.07 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -87.04 148.6 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 1.1 m-20 -103.75 129.41 25.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -29.96 23.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.67 -36.54 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.484 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 35.7 mtt -90.3 -7.53 53.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 42.94 31.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.7 t -134.32 161.53 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 42.0 m-85 -94.75 157.55 15.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.1 144.11 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -74.28 102.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.2 pt -80.81 -36.85 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 75.0 t80 -138.53 144.06 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 t -151.94 118.27 5.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.33 -148.11 6.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -122.55 24.6 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.38 179.64 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.534 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 30.2 p -119.5 -34.88 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -89.36 151.35 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.6 t60 -162.48 108.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.84 99.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 90' ' ' PHE . 53.5 t -58.61 101.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.82 169.13 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.14 75.79 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 47.8 mt -133.67 158.54 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -98.92 150.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.453 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.78 146.58 60.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 4.7 mmm180 52.73 36.48 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 87' ' ' LEU . 55.1 m -120.62 143.61 48.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 86' ' ' THR . 5.3 tp -93.03 148.72 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.508 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 55.3 m-85 -142.03 131.77 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -104.02 133.03 49.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 79' ' ' VAL . 65.7 m-85 -133.14 136.91 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 13.3 ptm180 -115.04 126.89 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 56' ' ' ILE . 19.9 tp -91.02 127.52 36.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -117.92 146.25 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.64 147.55 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 m -138.35 113.18 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -53.44 159.55 2.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.13 6.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.2 m -104.51 -37.03 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.52 -32.05 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.92 151.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -156.63 155.4 31.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.427 ' CG ' HD13 ' A' ' 16' ' ' LEU . 4.5 mm-40 -144.61 -175.59 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -137.26 147.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 p -95.42 160.73 29.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 120.99 7.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -41.47 134.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.18 102.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.1 p -83.54 131.37 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.57 142.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.34 126.68 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.9 p -62.37 -178.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.46 ' CG2' HG11 ' A' ' 27' ' ' VAL . 43.1 p -95.09 165.6 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.38 150.4 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 36.1 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 HD11 ' CG ' ' A' ' 102' ' ' GLU . 4.3 pp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.29 152.88 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -63.42 135.82 96.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.71 138.69 38.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.68 158.06 88.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.48 45.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.73 2.286 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 142.99 49.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.211 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 t -89.1 152.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.96 110.09 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.38 -87.76 0.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -76.67 126.21 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -113.83 107.77 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -117.07 150.53 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' THR . 50.8 p-80 -74.77 6.83 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -134.46 5.67 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -175.06 171.17 3.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.429 HG13 ' CD1' ' A' ' 82' ' ' LEU . 82.6 mt -144.9 117.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 38.3 tt0 -86.06 143.81 27.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 10.2 mt -139.38 151.12 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 52.8 p90 -152.44 115.56 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 41.4 p90 -112.39 38.95 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -81.91 27.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.3 mm? -106.0 -7.3 18.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.0 m0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.3 mt -93.1 149.43 21.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -86.9 145.0 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -132.66 112.94 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -115.17 117.99 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 69' ' ' ILE . 46.0 mm -97.59 141.18 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 15.5 mt-10 -133.34 153.57 51.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.1 pt-20 -126.93 133.33 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 54.7 tt0 -82.28 159.77 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 2.8 t0 -113.74 124.96 30.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.78 37.4 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.734 2.289 . . . . 0.0 112.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -112.96 -42.22 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mtt -85.7 -7.32 58.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 42.61 38.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -134.21 157.81 45.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -98.35 174.21 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' C ' ' HG2' ' A' ' 57' ' ' GLU . . . -167.17 125.26 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.428 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.0 t -62.61 90.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.419 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 40.2 pt -68.35 -34.56 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.537 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 79.9 t80 -143.01 144.13 32.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -151.23 119.13 6.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.34 -150.15 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -118.82 24.86 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.78 165.79 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 77.4 p -112.85 -21.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.97 141.17 36.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 57.0 t60 -158.77 126.17 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.1 p -118.55 102.38 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 90' ' ' PHE . 95.5 t -52.24 108.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.49 161.72 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.37 72.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 62.0 mt -125.98 155.37 41.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -92.48 152.44 42.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.754 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.85 157.16 61.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 40.48 31.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.454 HG21 ' CE1' ' A' ' 88' ' ' TYR . 56.6 m -113.96 139.72 48.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' HG23 ' A' ' 86' ' ' THR . 5.0 tp -90.31 147.34 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 75.6 m-85 -142.61 126.59 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -99.24 133.09 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.6 m-85 -135.71 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 93' ' ' LYS . 12.5 ptt85 -113.9 140.02 48.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.2 tp -104.97 121.52 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 46.7 tttt -111.35 148.01 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 2.2 m -138.22 142.1 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.2 m -133.51 116.63 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -58.54 159.17 12.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.22 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -105.39 -36.2 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.34 -33.95 0.84 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -54.62 151.22 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -157.54 148.72 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.454 ' CG ' HD11 ' A' ' 16' ' ' LEU . 3.5 mm-40 -137.34 -176.53 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -136.71 148.47 47.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -94.75 159.39 33.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 119.86 6.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.2 t -37.93 136.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -125.29 102.26 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.8 p -86.22 127.86 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.97 138.76 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.03 126.67 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 p -63.88 178.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 72.4 p -92.03 165.35 13.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -72.25 140.14 48.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 72.6 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.779 0.323 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -74.18 164.42 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -77.12 138.27 64.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.71 153.56 69.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.63 157.81 46.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.557 0.694 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 138.17 37.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.3 t -94.55 156.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' A' ' 34' ' ' LEU . 41.0 t -107.41 107.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.18 -78.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.46 126.18 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.69 102.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -112.74 151.81 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 38.5 p-80 -78.0 9.53 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -134.47 0.15 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 t -171.92 163.2 6.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -134.51 113.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 25.5 tt0 -82.51 143.48 31.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 77' ' ' HIS . 11.2 mt -140.75 154.04 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 49.8 p90 -152.89 120.21 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.468 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.5 p90 -121.27 35.77 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' OD1' ' CG2' ' A' ' 75' ' ' THR . 6.0 t70 -79.2 13.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.8 -33.2 17.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.57 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 35.6 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 47.8 mt -98.33 150.41 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -99.28 152.82 19.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -136.94 120.42 17.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -120.5 117.22 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -98.73 139.28 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 24.2 mt-10 -132.71 146.21 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.434 ' CG ' ' CG2' ' A' ' 69' ' ' ILE . 1.7 pp20? -122.36 138.57 54.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -87.6 151.01 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 7.7 m-20 -117.1 134.39 23.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.18 28.95 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -91.84 -31.97 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' HIS . 1.9 mtt -103.42 -1.09 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 34.7 37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -140.39 160.83 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -96.37 157.99 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.35 128.78 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 94.7 t -60.07 86.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 70' ' ' TYR . 47.4 pt -67.9 -34.11 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.533 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.1 t80 -142.71 143.55 32.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 124.34 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.32 -148.18 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -120.87 23.82 10.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.29 173.34 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.468 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 67.8 p -120.28 -30.6 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -94.44 136.36 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 47.7 t60 -153.7 134.11 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.2 p -128.45 103.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 90' ' ' PHE . 97.0 t -56.81 110.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.74 167.32 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.54 74.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 55.6 mt -131.34 165.29 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -104.59 156.46 35.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 54.2 Cg_endo -69.71 139.66 40.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.4 48.63 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.423 HG22 ' CZ ' ' A' ' 88' ' ' TYR . 97.8 m -127.39 129.65 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.1 tm? -78.1 140.3 39.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 61.3 m-85 -139.73 113.04 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -87.6 139.83 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 79' ' ' VAL . 61.1 m-85 -140.3 136.19 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.49 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 10.8 ptm180 -113.16 129.79 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.58 118.09 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -105.84 149.43 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.54 144.93 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -135.63 115.72 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.467 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.6 m -57.39 157.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.721 0.772 . . . . 0.0 110.806 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 t -104.92 -31.04 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.6 -33.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -59.4 155.88 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -157.23 153.08 26.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.467 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 15.3 mm-40 -137.82 -175.78 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 39.9 m-85 -141.07 145.24 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -93.02 162.69 27.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.7 119.69 6.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -38.5 136.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -122.61 102.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 3.4 p -86.28 124.4 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 m -131.18 130.07 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.92 121.63 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.2 p -56.44 179.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 25.2 p -94.78 168.25 10.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -76.75 143.26 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 24.0 mp0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -86.34 161.79 18.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -65.09 136.6 96.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.3 Cg_endo -69.7 149.08 66.77 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.378 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -79.03 157.17 76.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 140.62 43.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.52 42.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.524 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 t -81.91 151.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.6 t -115.41 97.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.63 -79.67 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.86 136.97 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.15 101.4 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 p -102.31 153.86 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 16.9 p-80 -74.37 4.13 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -123.33 -17.03 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -157.69 176.49 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 82' ' ' LEU . 87.6 mt -138.5 125.73 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.3 142.61 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 mt -144.86 138.41 26.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 27.4 p90 -152.4 121.9 6.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 46.0 p90 -122.64 30.21 6.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -76.81 43.14 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.19 -33.39 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.61 148.72 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -95.12 140.11 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.79 113.04 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.97 133.73 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.0 mm -105.23 140.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 1.5 mp0 -128.24 171.69 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -145.32 152.16 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 18.9 tt0 -97.43 146.58 25.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 8.4 m-20 -102.55 125.15 36.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -29.95 23.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.86 -36.77 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.471 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 52.2 mtp -87.23 -24.09 24.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASP . 20.3 m-70 60.81 26.0 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 176.75 7.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 36.9 m-85 -117.87 167.54 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.94 120.83 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.67 105.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 pt -81.45 -31.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 86.2 t80 -138.29 141.11 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -147.36 118.24 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.63 -152.16 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -123.26 24.59 8.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.06 179.37 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.477 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 18.3 p -119.81 -19.14 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.8 ttm180 -103.57 162.77 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 83.6 t60 -170.45 149.12 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.5 t -140.29 114.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.471 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 93.7 t -75.11 111.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -92.45 164.96 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.8 66.4 2.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 56.5 mt -124.68 163.69 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -103.31 155.29 36.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.7 134.72 28.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 57.06 51.12 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.5 m -130.89 134.5 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 88' ' ' TYR . 2.2 tm? -81.08 138.59 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 52.4 m-85 -136.8 112.39 9.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 29.0 mttt -87.09 137.62 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 64.9 m-85 -139.39 138.82 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 4.9 ptm85 -117.2 129.11 55.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tp -91.34 131.96 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -117.04 147.59 42.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.88 143.32 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.4 m -132.33 107.84 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 100' ' ' GLU . 3.6 p -46.91 154.81 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.35 2.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -108.51 -31.48 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.27 -32.31 1.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' SER . 26.8 mm-40 -58.26 152.04 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -158.01 144.15 17.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.462 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mm-40 -132.46 -174.7 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -135.12 145.09 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.42 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.3 p -93.94 159.86 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.752 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.88 7.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.1 t -39.52 138.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 m -122.49 102.96 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.471 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.0 p -85.41 119.76 26.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 32' ' ' ILE . 27.9 m -128.66 132.2 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.27 124.48 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 p -61.77 -174.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 47.6 p -104.74 -179.34 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 155.08 39.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 12.7 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 102' ' ' GLU . 4.0 pp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.798 0.333 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -58.08 137.62 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -59.34 136.93 88.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.71 150.39 68.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.382 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.673 ' HE2' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.51 161.96 43.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.16 41.97 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.94 43.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 52.2 t -87.17 159.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 34' ' ' LEU . 89.9 t -120.42 97.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.1 -78.83 0.52 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -88.62 134.26 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.89 98.1 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -95.45 154.14 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 21.5 p-80 -75.17 5.39 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -125.3 -12.25 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.08 172.01 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -130.3 127.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.92 135.61 34.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 24' ' ' VAL . 21.2 mt -138.44 142.49 39.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 25.3 p90 -152.06 123.14 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' LEU . 36.5 p90 -111.31 17.96 19.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -38.99 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' TRP . 3.0 mm? -45.81 -47.58 15.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.673 ' N ' ' HE2' ' A' ' 20' ' ' HIS . 3.0 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.4 m0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 10.1 mt -90.81 152.09 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -95.87 149.51 21.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -137.65 118.14 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 p -112.08 139.82 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -121.99 113.03 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 24.4 mt-10 -106.29 162.78 13.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -129.3 140.24 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -85.97 156.67 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 13.7 m-20 -118.77 130.12 25.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -21.56 32.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -105.65 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.438 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 20.8 mmt -81.64 -19.49 41.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 50.88 33.94 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -132.01 159.36 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.561 ' CD1' ' HD2' ' A' ' 91' ' ' ARG . 90.3 m-85 -96.02 146.77 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.71 127.12 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 34.9 t -62.13 96.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.05 -29.24 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -142.72 145.39 33.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -151.9 111.15 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.57 -154.92 8.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.87 25.09 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.56 -174.78 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.7 p -118.85 -37.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 19.6 ttp-105 -93.16 156.84 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 53.5 t60 -165.58 108.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 50.9 t -95.23 96.23 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.476 HG21 ' CE1' ' A' ' 90' ' ' PHE . 56.0 t -53.97 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.63 163.07 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.65 74.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 89.7 mt -137.48 172.68 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -116.65 152.93 48.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 146.37 60.05 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 55.1 28.85 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.579 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 55.4 m -113.68 137.76 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.93 146.89 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 54.9 m-85 -142.35 132.54 24.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 29.8 mttm -101.51 135.28 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.7 m-85 -137.72 141.94 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 66' ' ' TYR . 3.1 ptm85 -120.75 140.0 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 tp -102.78 130.88 49.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 15.4 tttt -118.12 156.07 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 m -146.55 138.21 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.3 m -131.76 118.74 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 m -64.54 159.25 61.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 3.26 2.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.6 m -106.98 -33.18 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.79 -32.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.68 153.25 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -157.46 156.55 32.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 16' ' ' LEU . 5.7 mm-40 -144.36 173.92 11.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 28.4 m-85 -131.63 140.93 49.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -93.0 159.71 35.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.37 7.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -44.62 136.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 m -121.58 113.33 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.6 p -90.15 131.5 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.06 141.87 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.39 123.01 49.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -62.45 -173.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 40.1 p -104.45 157.88 16.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -64.28 143.3 57.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 13.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.4 p -53.9 129.26 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -53.92 136.9 56.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.5 Cg_endo -69.78 138.45 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.304 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.98 159.21 84.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.34 47.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.15 59.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 5.8 t -89.64 154.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.0 96.63 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.5 -78.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -90.72 131.72 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 p -123.04 119.28 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.441 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 10.6 p -121.59 158.25 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 34.5 p-80 -75.76 1.13 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.8 p80 -117.37 -26.51 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 39.5 p -155.08 170.92 20.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 82' ' ' LEU . 95.4 mt -132.75 130.66 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.13 141.59 30.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.7 mt -144.44 130.77 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 44.8 p90 -140.63 123.73 16.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.1 p90 -123.7 34.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.15 9.29 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' TRP . 25.0 mt -72.72 -35.08 67.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.9 m0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.775 0.321 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 14.2 mt -86.96 146.99 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -100.34 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.58 116.66 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -119.25 125.18 48.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.66 144.62 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 36.8 mt-10 -137.31 146.99 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -124.62 138.88 54.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 64.0 tt0 -88.61 143.13 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 129.72 24.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -98.83 -35.97 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 65' ' ' SER . 13.5 mmt -100.05 3.24 44.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.2 34.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.1 m -133.26 162.61 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 91' ' ' ARG . 83.4 m-85 -97.71 167.48 10.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.41 132.01 3.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -65.93 89.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 77' ' ' HIS . 40.0 pt -72.19 -32.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.8 t80 -142.87 143.65 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 t -152.05 115.97 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.73 -151.96 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.62 27.12 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 -176.98 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.5 p -118.52 -37.98 3.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -84.52 159.36 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 67.1 t60 -167.18 122.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.57 103.55 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.21 110.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -89.36 175.06 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 53.69 74.97 0.25 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.535 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 93.7 mt -131.14 167.29 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -107.14 153.37 41.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 135.11 29.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 56.92 43.9 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 m -122.94 138.82 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.1 tm? -85.09 143.48 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 56.2 m-85 -142.11 113.82 7.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -89.29 137.5 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 56.5 m-85 -136.8 146.18 45.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 66' ' ' TYR . 7.4 ptt180 -122.52 131.0 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.43 121.42 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -108.01 147.99 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.75 146.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.4 m -136.83 113.46 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' GLU . 4.6 p -49.92 155.59 1.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 5.34 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.7 m -112.34 -33.01 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.19 -37.42 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 6.5 mm-40 -54.09 156.35 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -158.77 163.0 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mm-40 -151.57 -175.06 5.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 38.3 m-85 -142.45 145.61 33.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -91.68 162.74 30.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.77 121.4 8.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' PRO . 84.0 t -36.45 136.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.18 103.27 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.447 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 20.4 p -88.32 127.45 35.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.42 ' N ' HD22 ' A' ' 87' ' ' LEU . 16.9 m -136.11 136.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.36 123.94 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -61.58 179.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 31.3 p -94.63 174.28 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLU . 14.8 ptt180 -80.81 140.67 35.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.564 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 15.4 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 102' ' ' GLU . 4.1 pp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -75.3 131.41 40.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -45.59 139.17 4.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 173.61 10.72 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -109.3 159.49 31.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.9 Cg_endo -69.82 142.24 47.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.355 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 156.73 62.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 50.9 t -94.28 149.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.6 t -108.41 97.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -77.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 57.5 tttt -90.8 129.37 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -124.98 104.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.438 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 20.2 p -104.45 175.86 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 33.5 p-80 -92.6 9.38 34.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 4.2 p80 -124.49 -27.37 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -153.65 173.66 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt -130.74 130.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -88.25 135.99 33.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 41.9 mt -140.84 133.28 28.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.2 p90 -140.67 127.71 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -127.8 36.15 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -77.61 16.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' TRP . 16.8 mt -82.93 -36.08 25.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 20' ' ' HIS . 5.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.2 m0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mp -87.38 149.37 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 54' ' ' PHE . 15.4 tpp180 -88.84 150.71 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 23.3 m-85 -139.85 112.1 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m -120.18 130.0 54.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -108.8 134.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 mt-10 -128.28 149.76 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 2.2 pp20? -123.69 138.23 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 25.6 tt0 -89.24 143.26 26.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.28 129.85 24.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.98 36.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -101.63 -33.68 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 14.2 mtt -96.71 2.37 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.02 35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 7.0 t -140.09 162.58 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 43.0 m-85 -98.11 170.21 9.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.18 129.66 2.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 87.8 t -64.41 92.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.0 pt -73.3 -32.83 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.3 t80 -142.98 143.89 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -151.84 125.16 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.33 -150.33 12.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 2.5 m-85 -121.1 28.58 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.83 -176.39 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.566 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 37.1 p -125.42 -39.24 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 36.2 ttt180 -90.06 152.07 21.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 72.0 t60 -162.5 117.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.54 105.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 90' ' ' PHE . 97.6 t -65.14 106.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.22 171.68 9.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.62 60.36 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 82.2 mt -123.95 162.69 22.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -106.09 157.06 35.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 56.91 39.47 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.449 HG22 ' CE2' ' A' ' 88' ' ' TYR . 89.3 m -117.34 133.32 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.4 tm? -82.82 142.45 31.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 57.5 m-85 -142.68 112.76 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 43.5 mttt -89.89 131.28 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 70.1 m-85 -130.09 151.61 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.422 ' NE ' ' CD2' ' A' ' 103' ' ' TYR . 2.5 ptm85 -129.89 129.46 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -91.34 126.55 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 21.3 tttt -116.03 143.96 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.25 145.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -132.83 113.54 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 98' ' ' SER . 85.7 p -53.44 153.79 6.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.745 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 12.05 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 96' ' ' SER . 5.4 t -117.43 -27.68 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.86 -30.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' SER . 13.0 mt-10 -60.2 153.73 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -157.58 166.41 32.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.471 ' CG ' HD11 ' A' ' 16' ' ' LEU . 25.6 mm-40 -157.45 -175.56 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.495 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 14.0 m-85 -137.35 146.77 44.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.432 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.87 163.98 22.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.232 . . . . 0.0 112.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.7 t -40.17 134.44 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.73 102.52 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 11.9 p -83.93 127.85 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.01 131.73 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.28 125.64 43.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.3 p -60.75 -179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 49.8 p -96.61 -179.44 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.92 161.79 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.9 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 101' ' ' TYR . 1.2 pt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -62.17 170.36 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -87.74 137.39 31.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -99.68 157.8 33.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.842 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 138.64 38.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.381 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.87 43.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 t -85.85 151.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' CD2' ' A' ' 34' ' ' LEU . 60.8 t -110.73 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.61 -85.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -85.03 130.94 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.44 116.74 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.2 p -118.23 164.44 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -83.1 6.57 18.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -124.56 -18.86 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -158.25 -179.71 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.2 mt -143.7 126.27 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.26 138.93 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' CD2' HG23 ' A' ' 24' ' ' VAL . 29.0 mt -144.57 133.24 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.8 p90 -140.95 119.73 12.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.575 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 43.5 p90 -114.01 38.52 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -81.44 26.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.72 -4.99 32.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.2 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 35.5 m0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.84 153.0 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.8 148.49 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -138.28 112.07 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -113.14 133.65 54.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.575 HD12 ' CZ3' ' A' ' 36' ' ' TRP . 25.1 mm -108.07 121.03 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -115.7 173.64 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.4 tp10 -153.18 155.49 36.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 33.3 tt0 -80.52 152.8 28.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 6.3 m-20 -113.44 116.84 45.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.42 30.92 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -99.06 -26.82 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.644 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 33.8 mmt -105.01 -4.94 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.7 OUTLIER 43.37 37.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -148.32 168.26 23.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 59' ' ' GLU . 2.9 m-85 -106.32 160.85 15.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.435 ' C ' HG22 ' A' ' 68' ' ' VAL . . . -145.42 -124.13 1.65 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG22 ' C ' ' A' ' 67' ' ' GLY . 96.3 t -157.25 106.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 56' ' ' ILE . 17.6 pt -85.5 -32.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.538 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.0 t80 -143.18 146.15 33.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.77 105.35 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.58 -164.14 24.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -103.12 -8.24 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.61 163.27 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 49.1 p -107.9 -26.27 10.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 51.0 ttp180 -101.74 153.0 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.0 t60 -163.7 109.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.79 101.14 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 58.3 t -59.68 105.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.3 172.03 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.88 75.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 96.0 mt -134.59 158.68 43.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -99.19 153.53 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.93 52.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.612 2.208 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 49.5 52.7 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.428 HG23 ' CE2' ' A' ' 88' ' ' TYR . 30.6 m -134.09 127.75 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.7 tm? -69.94 142.27 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 46.9 m-85 -140.44 112.98 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 38.0 mttm -89.2 135.83 33.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 58' ' ' GLU . 60.3 m-85 -137.83 129.05 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HD3' ' CD ' ' A' ' 57' ' ' GLU . 2.1 ptm180 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.1 tp -90.65 129.39 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.0 tttt -112.41 153.58 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.9 m -146.3 138.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.5 m -132.81 113.85 13.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -58.1 158.6 13.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.673 0.749 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.97 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 t -102.13 -32.16 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.22 -27.18 2.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.96 153.0 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.405 ' CA ' HD23 ' A' ' 16' ' ' LEU . 54.8 p90 -155.61 143.33 19.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 27.2 mm-40 -130.97 174.98 9.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 27.5 m-85 -128.68 141.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.405 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.27 160.72 34.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.626 0.726 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.2 Cg_endo -69.69 114.86 3.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.404 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 10.3 p -41.48 138.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.46 103.0 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 11.9 p -79.99 122.07 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.31 127.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.1 124.12 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -58.7 178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -92.6 178.03 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -93.9 136.36 34.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -62.12 139.31 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 135.08 95.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.73 148.73 65.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -87.6 158.86 50.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.815 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.3 39.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 141.28 44.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.561 ' HB ' ' CE2' ' A' ' 35' ' ' TYR . 5.0 t -85.89 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG2' HG13 ' A' ' 109' ' ' VAL . 48.7 t -108.51 108.31 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.43 -83.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -82.25 125.99 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.51 90.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -103.38 146.56 28.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 30' ' ' HIS . 23.4 p-80 -71.59 2.72 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 29' ' ' HIS . 92.8 m-70 -119.14 -26.01 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.27 174.94 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' CD1' HG22 ' A' ' 111' ' ' THR . 85.0 mt -143.58 111.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 26.2 tt0 -83.18 147.87 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 24' ' ' VAL . 7.3 mt -144.45 154.13 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 23' ' ' VAL . 46.9 p90 -152.38 117.54 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.513 ' CH2' HG13 ' A' ' 56' ' ' ILE . 40.7 p90 -116.12 40.21 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.66 14.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -88.27 14.03 10.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.9 m0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.72 140.99 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -86.43 148.94 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -137.05 112.02 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -112.88 121.14 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 36' ' ' TRP . 36.2 mm -102.42 132.78 47.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 28.9 mt-10 -123.38 157.8 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.79 134.71 48.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 45.3 tt0 -95.48 156.99 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -114.3 130.65 23.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.86 37.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.82 -35.29 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 5.0 mtt -95.59 -5.71 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 39.94 31.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -125.67 157.29 37.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 38.1 m-85 -102.13 171.03 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.09 124.63 1.27 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.546 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.483 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 88.1 t -59.66 102.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -82.9 -31.74 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 85.2 t80 -141.71 144.44 34.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -150.68 112.32 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.57 7.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.49 22.34 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.41 179.4 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.465 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 43.0 p -122.57 -38.86 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -86.38 143.06 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.8 t60 -159.58 125.5 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CB ' ' HA ' ' A' ' 33' ' ' GLU . 3.4 p -121.24 101.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.562 HG23 ' CE1' ' A' ' 90' ' ' PHE . 61.3 t -49.03 103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -79.29 151.81 30.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.43 83.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 85.0 mt -136.39 158.78 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.44 150.72 37.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.43 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.73 142.74 48.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 56.43 44.51 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.5 m -128.49 135.53 49.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.1 tm? -80.22 143.06 34.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 65.3 m-85 -141.04 113.81 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.417 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 67.0 mttt -87.44 136.67 32.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 25.4 m-85 -137.03 134.21 36.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.467 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 8.1 ptt85 -118.28 143.12 46.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.466 HD22 ' CG ' ' A' ' 36' ' ' TRP . 19.5 tp -108.29 121.02 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 48.8 tttt -113.02 145.08 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.8 m -134.22 143.05 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.1 m -133.88 112.65 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.6 p -55.69 155.76 10.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.86 2.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -106.43 -30.94 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.98 -33.45 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 7.6 mm-40 -60.45 151.94 26.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -158.85 157.54 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -140.79 -174.97 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -139.12 140.55 37.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.45 161.03 33.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.702 0.763 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.78 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 8.1 p -44.3 134.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.3 m -116.0 102.45 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 16.2 p -82.77 125.38 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.448 HG13 ' CG2' ' A' ' 24' ' ' VAL . 8.9 m -134.82 127.73 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.5 122.24 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.422 HG22 ' CD1' ' A' ' 32' ' ' ILE . 5.8 p -57.44 171.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 69.7 p -87.88 -177.29 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -95.68 136.66 35.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.1 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 17' ' ' SER . 4.5 pp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.456 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 74.6 m -65.34 141.59 58.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -62.13 137.66 95.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.29 37.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.563 ' HE2' ' N ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -76.28 161.68 74.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.46 42.94 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.356 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.48 57.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.542 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 61.3 t -89.17 157.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 34' ' ' LEU . 97.4 t -116.71 105.57 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.57 -77.0 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.19 131.48 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.32 99.17 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -102.72 149.54 24.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 50.6 p-80 -74.68 5.24 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -124.04 -12.58 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -162.14 178.48 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG13 ' CD1' ' A' ' 82' ' ' LEU . 93.1 mt -139.3 123.74 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.29 137.03 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 24' ' ' VAL . 21.1 mt -141.66 137.78 32.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 34.4 p90 -145.05 120.72 10.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' LEU . 37.6 p90 -109.28 13.73 24.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TRP . 2.1 p30 -37.54 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' TRP . 2.9 mm? -42.03 -51.98 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.563 ' N ' ' HE2' ' A' ' 20' ' ' HIS . 4.7 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.3 m0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 40.5 mt -116.95 143.15 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -93.12 137.45 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.9 123.28 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 mm -99.9 133.76 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -124.89 168.83 12.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.5 146.5 38.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.9 tt0 -91.04 147.46 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -108.74 125.79 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.49 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -100.09 -42.96 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mtt -86.05 -12.71 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 48.58 31.01 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -131.49 167.62 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -105.88 153.37 22.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.35 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -68.29 101.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.2 pt -81.18 -35.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 68.9 t80 -141.61 144.5 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -150.48 131.27 14.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.43 -148.91 13.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -124.95 25.17 7.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 -179.98 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.492 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 65.6 p -117.81 -39.3 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 59.7 ttp180 -92.44 159.85 15.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 45.3 t60 -164.79 111.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.89 97.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.47 104.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.69 163.8 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.36 64.2 3.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 37.7 mt -125.2 171.32 10.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -112.96 152.46 44.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.461 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.4 Cg_endo -69.78 135.69 31.04 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 61.18 41.08 13.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.611 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 22.8 m -124.73 141.99 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.08 147.08 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.611 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 59.3 m-85 -142.09 136.43 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.472 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 22.6 mttm -107.8 136.47 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 35.7 m-85 -139.97 142.77 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -119.16 128.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 tp -90.55 131.53 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.613 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -125.4 154.83 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.48 152.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.7 m -139.1 114.11 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 p -56.77 156.7 11.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.4 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -110.1 -32.01 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.92 -33.53 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.78 150.19 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.472 ' HB2' ' CE ' ' A' ' 93' ' ' LYS . 49.5 p90 -158.62 149.81 20.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -142.42 161.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.613 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 6.8 m-85 -115.04 145.31 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -95.44 160.05 31.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.57 7.33 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 95.2 t -42.84 140.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -124.45 118.3 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -95.92 129.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.2 m -138.08 140.08 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.13 125.68 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 p -62.92 -174.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.6 p -98.86 177.24 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 113' ' ' ARG . 0.6 OUTLIER -85.18 142.84 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -112.63 65.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -126.24 134.15 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.7 82.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -137.68 137.0 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.893 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -152.58 127.74 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.19 49.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ttp -137.0 130.11 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -126.36 143.35 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.95 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -78.52 130.32 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 3.0 tptm 34.09 51.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 12' ' ' LYS . 36.9 t -164.65 141.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 p -127.17 121.29 22.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 166.51 27.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -80.05 159.36 26.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 p -61.6 161.07 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -78.89 136.75 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.72 153.96 68.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -88.51 156.94 50.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.4 42.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 142.45 48.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.408 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 52.9 t -87.03 153.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.62 104.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.02 -81.15 0.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -86.0 133.75 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -121.59 109.53 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -111.8 148.84 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 25.6 p-80 -72.42 2.13 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -126.58 -7.51 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.72 174.02 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' A' ' 82' ' ' LEU . 96.4 mt -141.13 121.37 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 34.2 tt0 -83.5 140.97 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.1 mt -140.75 142.48 34.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 43.2 p90 -149.4 117.86 6.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 38.0 p90 -113.68 41.55 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.95 27.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -110.27 8.04 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 3.7 mp0 -112.3 -53.39 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.738 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -84.0 31.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 42' ' ' GLU . 54.0 mttt -54.74 -55.8 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -33.33 135.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -39.95 160.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLN . 34.6 ptt180 -81.58 43.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' ARG . 17.6 mm100 -36.47 115.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.81 179.77 40.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.19 31.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.6 tm0? -56.36 -29.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.66 -21.61 66.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -90.79 26.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -100.86 161.98 13.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.19 157.79 16.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -98.42 140.63 32.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.14 114.41 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -116.47 125.36 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -105.31 139.43 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 13.4 mt-10 -129.01 170.27 13.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -144.85 139.33 27.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -85.96 148.91 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -105.87 128.3 26.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -18.42 37.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.77 -36.42 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.48 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 32.4 mtm -97.5 1.23 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 36.48 32.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.3 t -128.7 162.7 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 63.7 m-85 -98.66 158.63 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.3 121.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 60.1 t -57.71 101.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.0 pt -78.84 -29.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.449 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.9 t80 -142.09 148.88 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -151.21 113.13 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.189 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.06 -159.2 21.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.0 -7.37 15.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 156.61 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 27.4 p -102.75 -13.85 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.9 ttm180 -111.46 159.86 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.477 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 63.7 t60 -167.01 141.21 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 33' ' ' GLU . 19.6 t -129.82 109.78 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.505 HG23 ' CE1' ' A' ' 90' ' ' PHE . 73.7 t -64.99 105.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -82.92 154.65 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.62 80.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 75.0 mt -135.42 171.85 13.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.7 153.59 49.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 136.57 33.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 62.02 38.96 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.605 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 24.0 m -122.74 136.69 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 tp -89.67 148.07 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 66.9 m-85 -142.06 133.77 26.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 31.6 m-85 -137.63 139.23 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.502 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 12.2 ptm180 -117.03 130.88 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.4 tp -94.86 123.97 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -113.24 144.95 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.76 148.2 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -136.34 116.28 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -55.57 158.67 5.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 2.77 3.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 m -105.76 -32.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.6 -35.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.53 154.3 6.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -157.84 146.34 19.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 25.7 mm-40 -130.47 -175.03 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -137.24 146.05 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -92.99 157.68 38.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.21 8.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -37.28 136.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.7 m -124.96 102.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.0 p -86.75 128.2 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.8 m -136.37 137.87 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.67 128.1 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 32' ' ' ILE . 33.9 p -65.78 -179.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 22.6 p -93.52 169.13 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -78.57 150.8 32.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 mt-10 -58.2 119.55 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m -100.6 -59.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 177.08 178.19 46.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 173.02 11.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.8 t -96.1 -47.81 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -73.9 125.49 28.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' GLY . 88.2 p 36.61 42.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -66.65 -52.04 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.64 164.39 34.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -169.2 120.19 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -145.6 126.36 14.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.2 54.85 0.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.9 mmm -139.88 158.01 44.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.22 147.02 99.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.515 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 53.5 Cg_endo -69.83 -48.93 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 13' ' ' VAL . 2.0 p-80 -167.67 -175.03 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 11' ' ' HIS . 19.8 ptmt -33.02 -41.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 p -127.13 150.89 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -106.21 132.99 20.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.51 27.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 17' ' ' SER . 4.5 pp -53.15 176.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 78.8 p -79.97 137.09 36.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -54.59 133.49 64.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.7 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.73 158.42 56.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 138.53 38.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.18 42.22 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -81.59 160.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -117.69 96.46 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.81 -87.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -83.99 128.05 34.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 13.6 p -121.24 105.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.505 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 54.5 p -110.11 174.2 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 7.2 p-80 -89.71 9.11 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.505 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.6 p80 -123.81 -28.43 3.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 77.5 p -155.98 165.35 36.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 111' ' ' THR . 48.4 mt -126.29 127.75 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CG2' ' A' ' 78' ' ' VAL . 8.9 tp10 -83.27 140.03 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 28.4 mt -140.9 131.88 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 50.9 p90 -143.04 118.77 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -117.09 31.75 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -77.26 41.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.6 mm? -117.83 -12.98 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -92.62 -47.44 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.498 ' NE2' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -82.06 38.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -89.44 67.55 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -151.57 146.21 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' GLU . 6.3 ptpt -34.94 132.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -79.53 49.65 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -44.04 160.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.55 176.1 0.65 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.434 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.6 16.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -52.02 -38.64 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.09 -24.25 39.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 26.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -100.79 157.69 16.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.49 161.33 18.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -106.47 148.71 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -134.39 115.74 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -122.82 122.43 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 57' ' ' GLU . 8.5 mm -99.85 149.6 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 2.3 mp0 -138.56 165.71 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 141.5 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -90.36 158.32 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.5 m-20 -112.8 128.59 25.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -26.5 27.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' NZ ' ' HE3' ' A' ' 63' ' ' MET . 4.8 ptmm? -97.96 -43.55 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 7.4 mmt -79.1 -35.62 41.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 3.1 m170 72.39 25.35 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -127.59 158.55 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 47.4 m-85 -99.88 155.91 17.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.96 137.14 6.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.12 97.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.2 pt -77.72 -32.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 82.7 t80 -142.65 143.38 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.8 t -151.6 121.45 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.25 -151.97 11.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.84 25.91 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.67 178.97 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 19.2 p -120.53 -29.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -97.68 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.5 t60 -170.44 107.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.504 ' CG2' ' OE1' ' A' ' 33' ' ' GLU . 57.2 t -91.4 91.83 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -47.69 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -85.16 170.48 12.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.11 79.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 92.1 mt -137.97 161.92 35.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -106.83 153.7 40.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.657 0.742 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.65 38.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 56.9 46.67 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.2 m -130.18 136.2 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 1.8 tm? -85.38 141.5 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 59.3 m-85 -138.66 114.05 9.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 29.4 mttm -91.21 133.32 35.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 54.3 m-85 -132.29 149.15 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.52 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 11.9 ptm180 -124.73 126.92 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.1 tp -90.81 130.83 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -117.49 149.34 40.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -141.29 145.9 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -142.29 118.55 10.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 159.79 33.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.66 0.743 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.27 2.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 m -103.62 -34.48 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.4 -36.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' C ' HD21 ' A' ' 16' ' ' LEU . 19.6 mt-10 -53.86 151.35 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.433 ' N ' HD21 ' A' ' 16' ' ' LEU . 43.7 p90 -158.45 155.22 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 2.7 mm-40 -145.07 -179.83 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -131.23 152.33 50.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.34 159.78 29.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 120.0 6.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.6 t -38.77 137.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 m -127.16 102.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 3.1 p -83.99 125.54 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.6 126.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.01 125.74 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 32' ' ' ILE . 78.2 p -64.54 178.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.0 p -94.56 175.38 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 14.0 pt-20 -94.12 -35.95 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.6 t -122.9 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.91 179.25 36.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 108.49 2.09 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t -55.51 94.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -53.94 131.39 40.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.538 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -155.93 137.91 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m -123.08 168.33 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.99 174.74 37.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -98.21 171.76 8.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -144.47 166.04 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.2 163.18 11.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 tpt -108.4 -63.51 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.33 141.01 12.07 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.67 41.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' LYS . 3.4 t60 -59.25 176.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' HIS . 7.8 mtmp? -34.62 -52.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -87.67 140.35 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -90.9 116.84 67.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.58 0.705 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.42 27.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.36 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -65.97 168.82 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 p -83.71 154.86 23.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -60.97 137.26 93.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.68 150.14 68.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 158.64 68.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.832 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.82 33.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.381 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.63 58.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.48 155.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.3 t -111.59 110.33 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.74 -97.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -75.34 126.94 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -114.58 98.22 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 4.6 p -104.42 152.03 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 25.1 p-80 -73.94 3.9 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.9 p80 -124.23 -3.69 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.8 p -175.31 167.73 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HG13 ' CD1' ' A' ' 82' ' ' LEU . 96.7 mt -131.68 126.74 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.63 139.01 31.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -140.21 142.68 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -152.25 126.11 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 75' ' ' THR . 39.0 p90 -125.49 19.7 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.35 -28.02 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' H ' ' CD1' ' A' ' 38' ' ' LEU . 7.1 mp -40.2 -48.95 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 3.1 mm-40 -60.15 -53.06 62.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 3.1 mp0 -76.17 49.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -91.35 31.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 43' ' ' LYS . 7.9 tp10 -121.37 147.87 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 28.8 mmtp -62.18 142.38 57.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -93.86 75.47 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.57 172.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 174.21 9.83 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 46.1 tt0 -53.68 -39.16 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.11 -22.72 52.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.35 18.3 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.453 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 44.2 m0 -94.82 164.08 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD1' ' HD3' ' A' ' 97' ' ' PRO . 3.4 mp -95.07 151.43 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -98.08 146.12 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 40' ' ' GLN . 94.0 m-85 -131.14 120.24 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -117.04 136.85 52.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.6 mm -114.58 128.03 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 47.1 mt-10 -111.27 172.93 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 pp20? -148.37 131.38 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.7 tt0 -84.05 151.22 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 21.9 m-20 -107.82 132.9 20.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.19 37.06 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 -28.26 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' SER . 6.5 mmt -106.55 -2.35 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 38.12 26.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.0 t -121.12 154.26 36.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 67.5 m-85 -95.01 158.59 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.57 111.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.446 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 19.2 pt -95.38 -33.09 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.446 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 87.8 t80 -139.47 144.39 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.08 114.93 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.44 -151.45 7.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -123.23 25.78 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.954 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 174.19 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 49.4 p -113.11 -31.83 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 30.2 ttp180 -93.64 154.39 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 74.7 t60 -161.85 117.25 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.2 t -106.81 98.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.16 114.73 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -95.61 -175.97 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.0 52.93 39.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 31.4 mt -114.8 161.63 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -105.46 155.86 37.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 53.85 50.5 16.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.445 HG21 ' CE2' ' A' ' 88' ' ' TYR . 32.2 m -131.79 130.43 41.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.0 tm? -74.57 142.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 50.1 m-85 -142.02 114.33 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 14.2 mtmt -90.05 145.45 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 59.3 m-85 -146.94 151.78 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -123.66 147.09 47.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.3 tp -109.44 111.23 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 26.2 tttt -102.89 144.04 31.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.3 m -139.02 138.31 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.9 m -125.72 110.28 13.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -53.98 158.41 3.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.694 0.759 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 54.4 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.382 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -100.69 -33.32 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.65 -24.08 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -69.53 154.67 41.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -158.01 158.7 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -151.64 175.88 11.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 8.7 m-85 -125.7 150.48 47.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.45 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -94.24 165.44 17.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.1 Cg_endo -69.73 119.01 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -34.72 139.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.0 m -124.56 102.71 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 8.7 p -85.23 125.51 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.56 129.36 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 122.56 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.2 p -63.99 179.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 31.7 p -95.55 179.42 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -86.66 153.92 21.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt-20 -89.53 36.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.6 p -38.65 102.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.47 160.47 26.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.99 19.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.371 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -40.04 -55.78 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -67.33 151.53 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -64.39 152.2 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 p -157.18 124.48 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.99 121.41 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -52.09 138.58 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -43.87 125.76 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.18 -86.17 0.32 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptp -98.22 136.98 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.678 0.275 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -152.28 142.46 15.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -177.25 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 12' ' ' LYS . 1.7 p-80 -62.43 173.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -32.2 -58.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.97 135.76 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.3 t -107.82 121.79 42.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.5 27.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.09 168.83 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -74.7 135.88 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 10.1 mtmt -53.82 140.82 49.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 156.91 62.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.43 157.24 47.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.68 40.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.57 65.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.667 2.245 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 61.7 t -90.93 156.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 27' ' ' VAL . 55.5 t -113.12 97.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.26 -82.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -85.94 127.12 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 24' ' ' VAL . 60.1 t -116.69 108.07 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 24.6 p -112.21 151.85 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 20.2 p-80 -73.71 3.57 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 1.6 p80 -122.38 -7.22 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' THR . 52.6 p -170.66 177.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 82' ' ' LEU . 95.4 mt -140.31 121.59 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -81.53 136.12 35.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.1 mt -138.83 144.77 39.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 54.4 p90 -151.37 121.73 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.3 p90 -116.85 20.4 13.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.09 -19.83 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -48.42 -59.64 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.64 -22.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 1.5 mp0 -101.0 57.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -67.11 -59.51 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -56.48 155.53 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -70.25 146.31 50.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -50.44 100.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -84.45 152.33 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.2 -175.08 1.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 166.49 27.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.516 ' HA ' ' CD1' ' A' ' 51' ' ' TRP . 34.3 tt0 -51.68 -41.71 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -47.76 -31.71 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -72.14 -31.14 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CD1' ' HA ' ' A' ' 48' ' ' GLN . 37.4 m0 -38.48 157.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 11.5 mt -96.11 142.4 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -85.53 132.35 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.88 113.76 21.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -117.18 115.13 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mm -93.69 146.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 49.1 mt-10 -132.72 172.14 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' OE1' ' CG2' ' A' ' 69' ' ' ILE . 6.0 pt-20 -144.79 139.61 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.516 ' OE2' ' CZ ' ' A' ' 66' ' ' TYR . 39.9 tt0 -93.65 155.54 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.42 129.57 23.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -19.67 35.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -104.4 -37.87 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.1 mtt -93.23 -6.96 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.5 m170 42.95 28.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -120.43 159.48 25.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.516 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 65.1 m-85 -102.27 152.88 20.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.09 141.98 9.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.33 113.83 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 20.6 pt -92.77 -31.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 80.7 t80 -142.65 145.25 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -150.38 116.9 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 -149.64 7.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -123.31 22.64 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.923 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.78 -179.36 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 79.1 p -117.68 -41.08 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 21.8 ttm105 -86.47 159.6 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.1 t60 -166.98 109.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.6 t -96.43 101.44 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.88 103.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.67 172.32 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 61.1 64.21 4.25 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 88' ' ' TYR . 30.9 mt -125.63 163.39 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.89 150.23 37.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.07 31.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 5.2 mmm180 62.19 40.36 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.9 m -124.69 144.7 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -93.84 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 82' ' ' LEU . 68.2 m-85 -141.5 138.51 32.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 53.4 mttt -107.86 138.52 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 42.8 m-85 -144.14 135.2 25.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.413 ' NH2' ' CB ' ' A' ' 66' ' ' TYR . 17.3 ptt180 -116.18 135.96 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.19 129.79 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -118.68 153.81 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.48 146.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.2 m -136.92 111.08 8.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.464 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 p -54.48 156.07 6.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.37 -28.33 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.79 -33.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -55.51 149.28 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -157.99 149.73 21.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 10.7 mm-40 -139.49 -175.69 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -136.13 147.56 47.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.38 159.25 31.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.34 6.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 3.1 p -42.39 140.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.8 m -124.35 102.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 93.3 p -82.01 131.1 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -139.79 144.03 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.6 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.7 p -67.89 179.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 81.8 p -91.67 178.97 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -88.12 139.95 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 10.7 pt-20 -82.72 136.75 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.5 t -66.63 -44.4 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 141.38 133.2 2.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.45 27.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.7 p -98.6 165.41 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.1 m -63.46 118.92 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -128.93 -53.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -39.05 147.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.32 -176.48 47.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -112.98 148.99 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -80.74 175.48 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.03 170.54 12.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.7 mmt -65.87 105.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -136.1 138.75 28.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HG3' ' CD ' ' A' ' 15' ' ' PRO . 53.6 Cg_endo -69.76 -172.35 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.514 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 3.3 p-80 -153.83 146.15 23.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' CG ' ' C ' ' A' ' 11' ' ' HIS . 2.6 ptmm? 40.1 25.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 11' ' ' HIS . 7.4 p -175.91 145.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.32 123.11 28.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' CD ' ' HG3' ' A' ' 10' ' ' PRO . 54.0 Cg_endo -69.7 167.71 23.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.637 2.224 . . . . 0.0 112.398 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 102' ' ' GLU . 1.2 pt? -92.88 169.18 10.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -66.3 152.54 44.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -77.67 134.54 65.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.44 60.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.529 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -93.25 158.24 37.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.91 41.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.33 62.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 61.1 t -89.6 149.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 34' ' ' LEU . 88.2 t -108.22 95.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.85 -82.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -84.03 136.31 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.04 103.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.462 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 68.1 p -110.39 171.27 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 9.4 p-80 -88.9 7.65 33.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 8.6 p80 -120.5 -29.57 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -153.52 173.46 15.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -132.73 126.81 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.29 139.7 32.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 24' ' ' VAL . 13.6 mt -144.79 142.0 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 54.1 p90 -151.66 122.03 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 75' ' ' THR . 33.9 p90 -111.3 10.25 21.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 p-10 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' TRP . 8.0 mt -42.5 -55.39 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 12.9 mt-10 -63.51 -21.93 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.634 HE21 ' N ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -90.53 72.34 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLU . 35.4 mmtm -107.28 -67.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -37.36 126.65 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -48.09 146.98 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 110.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -84.22 104.16 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.0 -163.85 43.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.21 39.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.528 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 63.3 tt0 -45.35 -44.82 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -45.96 -35.26 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -85.65 31.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.528 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 33.0 m0 -105.72 164.72 11.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.78 158.72 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -108.3 146.21 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CD1' HG13 ' A' ' 94' ' ' VAL . 41.9 m-85 -131.12 111.24 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 m -112.95 112.02 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.437 ' CD1' HD13 ' A' ' 92' ' ' LEU . 34.1 mm -91.52 142.08 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 32.1 mt-10 -130.68 167.6 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -138.96 140.36 38.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 33.2 tt0 -83.73 160.26 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.4 t0 -113.48 123.6 32.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD2' ' OD1' ' A' ' 60' ' ' ASP . 54.0 Cg_endo -69.75 -20.13 35.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG2' ' OD1' ' A' ' 60' ' ' ASP . 5.3 ptmm? -111.89 -44.29 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.485 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 15.5 mmt -80.65 -18.19 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 53.27 36.43 22.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -132.63 155.2 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 60.9 m-85 -95.85 151.38 19.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.46 134.72 5.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -68.31 97.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 70' ' ' TYR . 44.6 pt -75.06 -36.52 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.2 t80 -142.79 144.38 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -151.69 114.55 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.8 -149.29 6.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.96 26.77 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.74 -174.97 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 28.4 p -120.81 -40.54 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 29.4 ttp180 -91.2 158.54 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.7 t60 -165.55 108.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -97.62 100.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.1 t -60.81 109.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.76 174.59 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.71 57.31 20.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 81.9 mt -120.43 158.35 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -105.94 157.95 33.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.7 54.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 52.55 45.88 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.568 HG23 ' CE2' ' A' ' 88' ' ' TYR . 79.6 m -126.52 133.71 51.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.2 tm? -84.75 142.08 30.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 86' ' ' THR . 60.6 m-85 -142.51 114.45 8.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 61.2 mttt -90.0 135.25 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 29.7 m-85 -133.56 137.23 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.566 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 13.2 ptm180 -117.8 129.46 55.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' A' ' 56' ' ' ILE . 24.6 tp -91.55 128.61 37.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -118.41 144.47 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.429 HG13 ' CD1' ' A' ' 54' ' ' PHE . 3.4 m -135.19 147.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.7 m -139.29 114.44 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 159.64 7.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 1.5 4.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 t -103.75 -35.6 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.75 -34.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.33 149.84 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' N ' HD23 ' A' ' 16' ' ' LEU . 41.6 p90 -158.17 140.75 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' N ' HD21 ' A' ' 16' ' ' LEU . 9.7 mm-40 -126.74 -175.05 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -137.62 144.48 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -93.64 161.28 30.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.75 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.4 t -40.87 138.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.5 m -123.84 102.41 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.456 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 26.3 p -85.64 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.419 ' N ' HD21 ' A' ' 87' ' ' LEU . 15.9 m -138.33 131.56 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.31 124.46 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.2 p -62.64 179.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.2 p -96.37 -177.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 162.55 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.514 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 18.4 pt-20 -115.06 -38.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 10.4 m -84.26 -54.13 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.37 -166.77 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 t -107.73 144.38 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.3 p -116.66 147.21 42.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -89.94 85.55 6.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -174.17 130.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.85 -44.61 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -160.37 169.9 22.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -95.24 152.95 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.32 148.96 17.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.58 169.72 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.0 136.2 20.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 12' ' ' LYS . 17.5 t60 -50.33 171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 81.9 tttt -36.13 -47.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 14' ' ' VAL . 78.1 t -94.93 144.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.46 ' N ' HG13 ' A' ' 13' ' ' VAL . 6.9 p -84.61 134.48 42.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 166.72 26.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' A' ' 102' ' ' GLU . 3.9 pp -68.11 173.16 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 p -79.17 128.81 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -44.11 138.81 3.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -84.59 157.23 61.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 140.0 41.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 141.03 44.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 42.2 t -83.64 153.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.8 t -114.5 97.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.85 -83.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -85.04 130.38 34.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG12 ' CG2' ' A' ' 112' ' ' THR . 8.1 p -118.86 106.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.495 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 21.6 p -107.47 160.47 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 56.2 p-80 -81.03 5.41 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.495 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.3 p80 -124.74 -16.18 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.2 p -161.31 171.62 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 82' ' ' LEU . 30.1 mt -132.6 126.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.07 140.98 36.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.5 mt -142.01 140.01 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.579 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 38.8 p90 -152.22 120.53 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.496 ' CH2' HG13 ' A' ' 56' ' ' ILE . 44.7 p90 -124.9 39.5 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 17.6 p-10 -80.36 18.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.99 -41.49 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.95 -65.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.718 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -77.9 47.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -115.11 43.66 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -110.32 -41.82 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -174.62 122.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -111.9 -31.95 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -39.52 105.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.17 -163.14 30.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.22 13.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -87.28 -42.9 12.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.67 -17.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -90.49 24.46 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -106.41 162.15 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.72 145.0 27.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -86.06 151.13 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.05 118.18 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 m -120.65 114.6 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG13 ' CH2' ' A' ' 36' ' ' TRP . 25.1 mm -97.63 143.65 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 91' ' ' ARG . 5.2 mp0 -133.21 171.82 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.4 pt-20 -145.07 143.42 30.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 51.5 tt0 -92.34 156.82 16.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' HIS . 23.2 m-20 -113.12 127.46 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.02 37.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.0 -36.06 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 30.1 mmt -96.56 -3.08 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' ASP . 14.4 m-70 39.4 26.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.4 m -121.92 164.64 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 76.2 m-85 -105.77 170.19 8.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 131.68 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.67 104.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.441 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 41.0 pt -85.1 -30.91 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.528 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 54.3 t80 -143.15 143.14 31.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -152.51 129.51 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.39 -150.11 13.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.18 23.05 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.964 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.82 166.49 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 75.0 p -109.89 -24.01 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 34.1 ttm-85 -99.07 159.55 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 78.5 t60 -165.78 159.69 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.3 t -147.43 117.65 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' A' ' 90' ' ' PHE . 72.9 t -81.66 107.94 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.37 178.62 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.51 72.72 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.573 HD23 ' CE2' ' A' ' 88' ' ' TYR . 67.9 mt -130.31 169.33 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.35 149.72 39.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.697 0.761 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.427 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.8 138.98 38.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 58.65 38.84 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.565 HG23 ' CE1' ' A' ' 88' ' ' TYR . 16.6 m -123.0 144.35 49.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.89 146.97 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE2' HD23 ' A' ' 82' ' ' LEU . 47.4 m-85 -139.26 138.26 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -108.78 136.13 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 36.7 m-85 -139.9 144.21 37.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLU . 5.7 ptm180 -122.62 130.88 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' SER . 12.5 tp -96.88 131.33 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.581 ' CD ' ' CE1' ' A' ' 103' ' ' TYR . 2.3 tttm -118.03 144.53 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 1.5 m -133.76 138.77 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -121.86 108.09 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 4.4 p -52.96 155.46 4.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 4.39 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 m -103.9 -28.16 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.64 -21.88 3.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.51 160.53 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.43 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 14.3 p90 -155.84 170.08 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' CG ' HD12 ' A' ' 16' ' ' LEU . 43.3 mm-40 -159.5 169.3 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' CD ' ' A' ' 93' ' ' LYS . 4.4 m-85 -119.63 151.2 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.2 p -92.83 160.44 34.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' VAL . 53.4 Cg_endo -69.73 120.52 7.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' PRO . 86.2 t -36.29 130.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.5 m -120.56 102.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.4 p -86.54 128.96 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.66 139.98 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.26 130.46 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 p -66.54 -174.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.401 ' CG2' HG12 ' A' ' 27' ' ' VAL . 72.3 p -98.98 170.55 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -76.76 150.4 36.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 76.3 mt-10 -56.91 -39.09 73.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t 61.76 42.93 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.71 61.9 0.47 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.37 2.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' SER . 17.7 t -154.47 118.61 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' SER . 1.2 t -36.08 122.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -83.92 81.32 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 117.1 7.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 77.82 0.29 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -78.01 123.93 27.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -66.7 96.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.34 96.54 1.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ptm -124.34 122.0 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.307 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.19 148.78 7.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.38 2.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' LYS . 10.8 p-80 -50.19 172.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' HIS . 28.3 ttpt -36.35 -46.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 14' ' ' VAL . 61.9 t -94.15 138.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' N ' HG11 ' A' ' 13' ' ' VAL . 84.2 t -96.98 123.21 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.16 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.59 27.03 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.36 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 102' ' ' GLU . 4.5 pp -56.35 136.59 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.15 159.04 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -59.77 136.31 89.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.77 147.59 63.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' ND1' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -79.4 157.06 75.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.42 45.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.89 68.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.322 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 59.3 t -91.46 153.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG21 ' CG1' ' A' ' 109' ' ' VAL . 98.4 t -108.57 95.16 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.14 -85.89 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -82.71 134.53 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' HG22 ' A' ' 112' ' ' THR . 90.3 t -122.43 111.27 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 75.6 p -118.64 157.59 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.635 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 18.6 p-80 -80.85 6.81 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.5 p80 -124.54 -21.26 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -153.52 178.02 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 82' ' ' LEU . 96.9 mt -142.35 121.72 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -81.87 140.75 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 mt -141.44 134.87 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 50.4 p90 -144.17 124.43 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.482 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.8 p90 -121.49 21.67 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -51.67 -22.87 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -43.01 -71.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.513 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . 11.7 mt-10 -41.44 -29.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.607 ' NE2' ' CZ ' ' A' ' 54' ' ' PHE . 10.4 mm-40 -80.94 43.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -61.39 -55.11 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 151.41 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLN . 45.2 mtpt -85.58 150.11 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.76 75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.8 tp-100 -71.84 -46.53 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.71 -178.71 44.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 160.37 49.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -45.07 -46.85 11.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.3 -42.96 70.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -51.94 -34.56 42.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' GLN . 33.2 m0 -34.68 151.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 13.2 mt -90.9 156.14 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -98.25 147.56 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 40' ' ' GLN . 62.6 m-85 -137.95 112.03 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -106.41 136.05 46.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.87 119.18 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.44 172.0 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -142.43 135.19 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.99 165.21 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.93 132.32 24.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -22.9 31.64 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -101.33 -45.53 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 21.1 mtt -79.8 -24.62 41.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 56.9 36.67 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -137.91 158.18 44.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 96.6 m-85 -95.11 157.25 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.53 125.68 2.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.6 t -61.4 96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.443 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 38.6 pt -77.82 -29.71 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.582 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -143.04 143.58 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.73 114.11 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.43 -149.61 6.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -125.69 25.32 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.57 173.59 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 64.6 p -109.21 -37.72 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 7.9 ttm105 -88.47 154.14 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.5 t60 -165.09 120.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 t -107.49 103.78 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.01 107.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.89 163.81 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.87 67.08 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 69.2 mt -126.49 159.05 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -101.57 152.09 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.22 39.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 55.89 48.2 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.7 m -130.84 138.6 49.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.5 tm? -83.49 143.57 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 60.2 m-85 -142.43 113.63 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 33.7 mtmt -88.58 138.96 30.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 58.4 m-85 -140.9 131.39 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 5.6 ptm85 -109.34 128.43 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.49 130.49 37.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 9.8 tttt -115.31 155.01 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -146.78 139.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.1 m -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.9 m -60.55 159.15 26.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.753 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -106.49 -34.07 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.78 -34.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' C ' HD21 ' A' ' 16' ' ' LEU . 33.6 mt-10 -51.46 145.95 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -158.49 148.83 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' CG ' HD11 ' A' ' 16' ' ' LEU . 7.0 mm-40 -142.31 -176.65 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 31.7 m-85 -132.74 145.89 51.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.413 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.88 161.38 31.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.725 0.774 . . . . 0.0 110.808 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.82 117.5 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.6 p -40.27 129.49 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.7 m -115.68 107.23 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 53.5 p -88.79 118.02 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.46 ' N ' HD21 ' A' ' 87' ' ' LEU . 28.4 m -126.46 133.38 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.99 129.96 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.43 HG22 ' CG1' ' A' ' 32' ' ' ILE . 63.2 p -64.82 -174.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 54.1 p -101.91 173.07 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.419 ' NE ' ' HA2' ' A' ' 116' ' ' GLY . 0.3 OUTLIER -76.65 146.39 38.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.635 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 11.0 pt-20 -93.87 -38.97 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' GLY . 65.2 p -37.0 -41.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' SER . . . 35.42 -145.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -135.7 155.14 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.9 t -136.13 152.48 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 119' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 70.5 p -101.67 42.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.4 t -38.14 -46.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.91 128.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -170.7 118.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -147.61 140.96 25.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.78 153.57 10.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptp -110.21 134.12 52.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.749 0.309 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.58 145.88 31.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.653 0.739 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.16 15.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.565 ' CD2' ' H ' ' A' ' 12' ' ' LYS . 4.0 p80 -99.54 -53.3 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.565 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -135.05 -33.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 m -76.2 152.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.55 116.08 35.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 166.48 27.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -95.36 153.22 17.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.91 140.34 55.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 9.1 mtmt -54.31 136.81 60.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.65 147.17 62.95 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.494 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -80.22 157.99 72.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.73 48.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 141.46 45.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 21.8 t -84.06 151.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.46 103.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.83 -80.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.84 131.49 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -123.52 112.73 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 47.4 p -115.96 154.48 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 13.8 p-80 -74.4 4.45 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 2.5 p80 -122.95 -19.1 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -160.27 167.3 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -129.44 131.75 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -89.44 135.73 33.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -141.12 136.2 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.0 p90 -144.15 127.28 16.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.473 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 37.5 p90 -124.07 41.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.57 19.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.97 -11.24 33.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.494 ' CD ' ' CE1' ' A' ' 20' ' ' HIS . 11.3 mm-40 -90.56 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.756 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -77.35 44.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -60.6 -56.04 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.2 138.25 26.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -60.92 168.26 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -81.48 147.21 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -101.51 -45.78 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.73 -158.22 22.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 165.27 31.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.617 2.211 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.438 ' HA ' ' CD1' ' A' ' 51' ' ' TRP . 37.6 tt0 -56.62 -37.72 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.47 -29.71 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 51' ' ' TRP . 70.2 mm-40 -74.41 -39.46 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' GLN . 33.3 m0 -34.05 144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.77 165.19 25.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -107.95 138.72 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -122.7 120.09 32.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -120.25 130.82 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -108.16 132.65 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 20.5 mt-10 -121.16 153.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.1 pp20? -122.88 134.09 54.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 27.2 tt0 -83.28 153.67 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 20.7 m-20 -113.65 127.07 27.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.06 28.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -99.75 -31.56 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.608 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 7.5 mmt -100.95 4.61 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 63' ' ' MET . 1.5 p-80 30.67 37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 t -134.38 163.09 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 93.2 m-85 -101.15 167.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.77 126.97 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.3 t -59.15 101.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 31.2 pt -84.7 -33.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 69.1 t80 -139.38 145.1 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -152.05 112.18 4.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.84 -158.02 15.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.71 21.73 14.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.83 169.42 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.473 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 26.8 p -109.48 -21.18 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.3 ttp180 -104.61 157.02 17.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 44.5 t60 -163.91 112.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.6 t -100.83 98.98 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.27 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -89.14 166.51 13.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.02 68.88 1.49 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 76.7 mt -129.12 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -103.6 153.88 38.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.22 42.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 56.9 46.21 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -128.81 134.21 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 1.5 tm? -82.22 142.83 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 51.7 m-85 -140.74 114.67 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 62.3 mttt -88.31 138.34 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 51.6 m-85 -138.11 141.76 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 14.4 ptm180 -123.56 130.88 53.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.8 tp -92.4 128.69 38.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 27.8 tttt -118.15 151.73 37.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.66 141.2 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 m -128.62 109.11 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -51.63 155.5 2.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.32 2.86 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -107.15 -29.01 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.52 -30.4 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.15 152.95 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -158.06 143.43 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.419 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 5.7 mm-40 -130.69 179.97 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.406 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 29.8 m-85 -134.41 141.75 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -92.61 159.22 36.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.73 5.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 4.7 p -40.46 142.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.8 m -124.47 102.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.416 ' CB ' HD23 ' A' ' 87' ' ' LEU . 2.5 p -84.25 117.49 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.3 m -130.78 129.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.07 132.85 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -68.51 -175.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.9 p -97.18 -174.82 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -99.36 132.09 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -60.43 178.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.405 ' C ' ' OE2' ' A' ' 114' ' ' GLU . 59.6 p -113.1 126.38 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -157.33 -158.0 8.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -29.17 24.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.5 m -43.14 103.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 m -127.77 -47.36 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -44.16 -44.64 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m -50.54 161.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.27 111.8 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 t -168.84 154.55 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -172.38 170.41 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.39 73.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.0 mtm -126.52 123.77 38.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.707 0.289 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -91.99 138.67 24.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.03 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -61.57 -174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -39.95 -64.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -76.18 139.19 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 15' ' ' PRO . 95.6 t -88.72 136.69 30.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' N ' HG11 ' A' ' 14' ' ' VAL . 54.1 Cg_endo -69.83 166.43 27.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -69.18 172.02 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -73.67 155.92 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -75.52 132.14 76.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 137.87 36.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CD2' ' CD ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -72.68 162.89 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 140.59 42.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.41 42.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.2 t -88.32 160.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 t -116.4 108.54 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.81 -88.05 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 85.1 tttt -79.9 139.05 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.67 113.84 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.438 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 60.7 p -123.9 153.06 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 17.6 p-80 -74.75 5.55 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 17.2 p80 -122.63 -8.29 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.8 p -173.32 169.58 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 111' ' ' THR . 68.0 mt -132.44 127.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.417 ' HB3' ' N ' ' A' ' 26' ' ' LYS . 22.4 tt0 -80.46 139.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -143.56 128.87 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.572 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 32.2 p90 -136.21 130.43 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CG ' HD23 ' A' ' 92' ' ' LEU . 44.6 p90 -124.48 34.22 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.9 p-10 -64.32 -2.52 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' TRP . 34.0 mt -68.61 -24.07 64.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.608 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 6.2 mm-40 -76.72 -70.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -80.47 42.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -51.89 -58.05 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -46.45 155.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.8 146.44 52.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 15.5 mmt180 -94.96 46.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -41.71 -59.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.44 177.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 156.05 63.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 60.8 tt0 -52.15 -42.36 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -49.32 -23.67 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -95.17 27.74 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 38.9 m0 -104.83 158.67 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp -92.23 158.25 16.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -100.13 145.46 27.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.4 m-85 -130.85 118.61 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -117.04 113.53 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mm -94.99 127.53 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 17.6 mt-10 -117.37 168.21 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.12 134.06 43.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -90.3 153.42 20.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' HIS . 8.4 m-20 -116.42 128.5 25.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.24 36.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -103.31 -37.86 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mmt -93.42 -10.16 36.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.5 m-70 45.71 26.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -119.32 161.6 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -101.78 153.02 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.22 123.5 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 76.1 t -64.62 99.92 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 pt -81.35 -32.04 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 70.5 t80 -142.6 144.21 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 t -150.77 113.14 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.36 -148.88 6.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -122.97 21.62 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.23 179.69 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 70.9 p -118.28 -36.06 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.5 ttp180 -96.34 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.459 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 59.6 t60 -164.28 109.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.4 t -96.38 101.02 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.519 HG22 ' CE1' ' A' ' 90' ' ' PHE . 79.1 t -58.77 107.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -88.57 167.51 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.51 61.13 6.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 62.8 mt -120.23 163.12 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -103.8 151.53 38.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.54 40.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 57.34 41.98 25.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.585 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 17.9 m -125.34 144.25 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 tp -93.5 147.49 22.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.585 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 61.6 m-85 -142.35 139.7 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 27.7 mttm -106.22 132.0 52.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.9 m-85 -139.93 131.97 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.553 HH12 ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -111.64 173.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 36' ' ' TRP . 12.6 tp -133.21 108.11 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 55.4 tttt -101.35 140.33 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.401 HG11 ' CD1' ' A' ' 54' ' ' PHE . 1.8 m -129.5 148.44 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.0 m -135.53 104.97 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.2 m -45.94 153.15 0.68 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.23 2.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -105.17 -27.65 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.53 -27.12 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' SER . 68.7 mm-40 -67.39 156.77 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -158.17 162.3 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -145.92 -175.58 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 9.8 m-85 -139.81 140.42 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.553 ' N ' HH12 ' A' ' 91' ' ' ARG . 1.7 p -92.79 157.88 38.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 11.6 p -38.29 146.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 90' ' ' PHE . 4.0 m -132.72 102.82 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.9 p -78.48 138.51 38.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.6 m -145.14 141.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.48 128.43 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 32' ' ' ILE . 42.7 p -68.54 -175.3 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.6 p -97.84 -176.18 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -90.25 150.2 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.8 pt-20 -93.19 143.46 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 t -43.76 113.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.79 175.12 35.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.68 18.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.5 p -137.09 176.34 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.2 t -108.96 132.5 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -160.17 162.19 33.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 29.0 t -103.45 -44.42 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.32 65.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -82.76 141.2 32.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.82 53.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.14 155.88 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -145.78 153.17 50.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -178.3 2.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' LYS . 24.2 t60 -63.22 174.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' HIS . 1.8 tppp? -37.12 -61.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 14' ' ' VAL . 60.7 t -93.12 139.9 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.42 ' N ' HG13 ' A' ' 13' ' ' VAL . 76.9 t -76.09 128.19 83.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 166.52 27.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.18 171.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -77.4 166.26 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -81.85 134.31 50.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.81 159.07 54.72 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.9 162.98 23.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.841 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.26 47.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.6 t -85.25 151.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.98 103.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.99 -77.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.79 130.87 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.91 112.68 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 49.0 p -114.51 151.73 32.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 29.7 p-80 -73.74 2.18 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.1 p80 -121.7 -12.04 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -166.48 169.09 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.419 ' CD1' HG22 ' A' ' 109' ' ' VAL . 65.3 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -81.72 130.28 35.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.6 mt -134.76 141.85 46.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 23.0 p90 -150.25 125.42 10.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.3 p90 -118.27 33.17 5.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 3.2 p-10 -74.6 44.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 36' ' ' TRP . 2.6 mm? -114.3 -29.41 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 54' ' ' PHE . 14.7 pt-20 -77.65 -48.85 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.783 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -90.1 64.35 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 40' ' ' GLN . 25.1 mttt -47.13 175.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.89 51.78 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -155.86 105.09 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -98.18 142.01 30.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -92.15 -40.87 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.41 -159.31 10.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 165.25 31.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.31 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.13 -47.23 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.29 -20.31 58.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -73.91 -38.74 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLN . 44.3 m0 -34.25 150.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 27.2 mt -75.32 143.77 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.9 ttm180 -80.31 151.51 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 19.4 m-85 -138.27 112.35 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -119.02 130.25 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.2 mm -103.98 149.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 91' ' ' ARG . 1.7 mp0 -139.58 171.85 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 12.1 pt-20 -149.15 139.51 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 41.8 tt0 -87.38 152.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.77 131.13 21.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -102.12 -41.0 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.6 mmt -89.41 -8.1 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 41.6 37.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -135.86 158.61 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 74.4 m-85 -97.97 150.15 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 124.79 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.49 105.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 47.5 pt -83.65 -33.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -142.61 150.07 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -150.3 121.48 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.11 -160.72 33.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -104.35 -16.13 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.82 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.477 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -111.01 -28.95 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.458 ' NH2' ' CG2' ' A' ' 78' ' ' VAL . 35.9 ttt-85 -99.97 156.71 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -164.37 113.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.458 ' CG2' ' NH2' ' A' ' 76' ' ' ARG . 53.7 t -100.79 96.69 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.69 107.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -86.91 169.37 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.17 61.01 7.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 37.3 mt -120.54 161.01 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -104.46 158.73 31.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.94 52.45 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.518 ' NE ' ' CG ' ' A' ' 113' ' ' ARG . 10.0 mmt180 45.08 44.66 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 m -119.9 132.22 55.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.3 tm? -80.49 138.2 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 59.4 m-85 -139.36 112.77 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -88.33 137.77 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 34.7 m-85 -136.89 138.88 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' CG ' ' OE1' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -117.0 128.24 54.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.0 128.19 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -116.24 146.22 42.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.78 146.05 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -133.43 118.82 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -60.07 161.21 13.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD3' ' CD2' ' A' ' 52' ' ' LEU . 53.4 Cg_endo -69.8 -0.01 6.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -103.2 -36.37 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.6 -31.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -55.44 152.65 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -156.07 140.89 17.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 5.9 mm-40 -125.88 -175.7 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.29 146.71 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -93.09 160.04 34.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.34 9.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 107' ' ' VAL . 89.3 t -39.04 137.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' N ' HG12 ' A' ' 106' ' ' VAL . 30.0 m -125.58 103.54 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 10.4 p -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.47 ' N ' HD21 ' A' ' 87' ' ' LEU . 20.3 m -124.43 128.49 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.13 126.89 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.2 p -66.35 -174.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -100.94 -178.24 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.518 ' CG ' ' NE ' ' A' ' 85' ' ' ARG . 17.5 mtm105 -77.18 162.45 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.561 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 22.0 mt-10 -69.78 155.46 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.5 m -131.0 174.19 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.75 141.68 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -30.47 22.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.4 m -93.79 153.48 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 t -70.68 86.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -67.97 139.4 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -70.57 -61.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.19 -173.75 36.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -128.68 124.75 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -158.2 139.58 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 64.1 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 mtp -87.74 168.84 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -145.92 140.58 15.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 179.07 3.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.39 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' LYS . 6.2 p-80 -46.5 170.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' HIS . 33.1 tptt -35.82 -68.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.0 158.49 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.64 123.55 39.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.49 27.44 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD13 ' CG ' ' A' ' 102' ' ' GLU . 4.0 pp -71.54 169.21 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -77.44 129.99 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -44.75 140.37 3.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.07 13.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -105.3 157.56 34.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 138.75 38.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 140.77 43.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 15.2 t -84.27 154.71 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG22 ' CD2' ' A' ' 34' ' ' LEU . 93.5 t -111.24 95.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.23 -86.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -82.57 134.57 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 112' ' ' THR . 10.1 p -121.71 104.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' CE1' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -108.61 164.35 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 112' ' ' THR . 49.5 p-80 -85.97 8.06 21.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.456 ' CE1' HG22 ' A' ' 28' ' ' THR . 4.8 p80 -126.35 -12.62 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -166.38 172.69 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -133.49 126.71 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -83.46 137.71 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' CD2' HG22 ' A' ' 24' ' ' VAL . 38.3 mt -140.82 139.47 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.4 p90 -148.25 123.79 10.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.5 p90 -121.4 38.64 4.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.538 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 4.1 p30 -81.16 24.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 38' ' ' LEU . 5.6 mp -96.3 -28.27 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.3 -54.38 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.538 ' NE2' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -83.2 29.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -53.07 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' LYS . 43.6 tt0 -40.42 129.14 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.5 mtmt -36.37 152.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 51' ' ' TRP . 3.3 mpt_? -63.35 -39.46 94.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 46.49 42.59 11.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.11 175.33 35.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 158.95 55.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 38.8 tt0 -49.77 -37.77 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.53 -30.32 53.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -86.56 28.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 44' ' ' ARG . 34.6 m0 -103.06 148.79 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.24 164.23 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -104.44 151.95 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -134.26 115.02 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -116.41 114.05 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 92' ' ' LEU . 14.7 mm -95.98 132.77 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 8.7 mt-10 -126.8 167.96 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.1 tt0 -146.35 150.07 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -87.04 148.6 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 1.1 m-20 -103.75 129.41 25.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -29.96 23.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HD2' ' CG ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.67 -36.54 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.484 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 35.7 mtt -90.3 -7.53 53.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 42.94 31.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.7 t -134.32 161.53 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 42.0 m-85 -94.75 157.55 15.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.1 144.11 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -74.28 102.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.2 pt -80.81 -36.85 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 75.0 t80 -138.53 144.06 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 t -151.94 118.27 5.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.33 -148.11 6.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -122.55 24.6 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.38 179.64 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.534 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 30.2 p -119.5 -34.88 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -89.36 151.35 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.6 t60 -162.48 108.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.84 99.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 90' ' ' PHE . 53.5 t -58.61 101.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.82 169.13 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 58.14 75.79 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 47.8 mt -133.67 158.54 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -98.92 150.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.453 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.78 146.58 60.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 4.7 mmm180 52.73 36.48 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 87' ' ' LEU . 55.1 m -120.62 143.61 48.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 86' ' ' THR . 5.3 tp -93.03 148.72 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.508 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 55.3 m-85 -142.03 131.77 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -104.02 133.03 49.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 79' ' ' VAL . 65.7 m-85 -133.14 136.91 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 13.3 ptm180 -115.04 126.89 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 56' ' ' ILE . 19.9 tp -91.02 127.52 36.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -117.92 146.25 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.64 147.55 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 m -138.35 113.18 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -53.44 159.55 2.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.13 6.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.2 m -104.51 -37.03 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.52 -32.05 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.92 151.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -156.63 155.4 31.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.427 ' CG ' HD13 ' A' ' 16' ' ' LEU . 4.5 mm-40 -144.61 -175.59 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -137.26 147.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 p -95.42 160.73 29.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 120.99 7.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -41.47 134.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.18 102.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.1 p -83.54 131.37 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.57 142.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.34 126.68 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.9 p -62.37 -178.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.46 ' CG2' HG11 ' A' ' 27' ' ' VAL . 43.1 p -95.09 165.6 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.38 150.4 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 36.1 mt-10 -60.38 -179.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.0 t -129.02 -46.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.83 -112.54 0.79 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.8 m -77.99 121.16 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.2 p -150.75 125.86 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.495 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m -132.14 119.21 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -149.66 152.7 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.7 171.99 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -129.71 120.38 25.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -162.77 160.86 25.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 177.56 14.93 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -101.61 164.87 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -117.62 144.41 34.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.7 p-80 -73.13 143.54 47.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER 39.23 29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' HIS . 54.9 t -145.04 141.06 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.6 t -121.73 108.6 34.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 14' ' ' VAL . 53.7 Cg_endo -69.77 166.49 27.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD11 ' CG ' ' A' ' 102' ' ' GLU . 4.3 pp -87.91 153.28 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.29 152.88 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -63.42 135.82 96.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.71 138.69 38.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.68 158.06 88.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.48 45.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.73 2.286 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 142.99 49.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.211 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 t -89.1 152.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.96 110.09 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.38 -87.76 0.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -76.67 126.21 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -113.83 107.77 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -117.07 150.53 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' THR . 50.8 p-80 -74.77 6.83 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -134.46 5.67 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -175.06 171.17 3.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.429 HG13 ' CD1' ' A' ' 82' ' ' LEU . 82.6 mt -144.9 117.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 38.3 tt0 -86.06 143.81 27.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 10.2 mt -139.38 151.12 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 52.8 p90 -152.44 115.56 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 41.4 p90 -112.39 38.95 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -81.91 27.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.3 mm? -106.0 -7.3 18.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 mp0 -97.16 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -78.84 42.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -86.58 70.21 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -136.64 136.78 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -42.06 134.39 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -82.67 40.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.76 -52.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.95 175.44 10.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 164.75 33.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -64.07 -13.66 48.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -85.01 28.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -128.14 -30.76 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -39.29 154.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.3 mt -93.1 149.43 21.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -86.9 145.0 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -132.66 112.94 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -115.17 117.99 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 69' ' ' ILE . 46.0 mm -97.59 141.18 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 15.5 mt-10 -133.34 153.57 51.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.1 pt-20 -126.93 133.33 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 54.7 tt0 -82.28 159.77 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 2.8 t0 -113.74 124.96 30.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.78 37.4 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.734 2.289 . . . . 0.0 112.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -112.96 -42.22 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mtt -85.7 -7.32 58.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 42.61 38.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -134.21 157.81 45.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -98.35 174.21 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' C ' ' HG2' ' A' ' 57' ' ' GLU . . . -167.17 125.26 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.428 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.0 t -62.61 90.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 40.2 pt -68.35 -34.56 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.537 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 79.9 t80 -143.01 144.13 32.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -151.23 119.13 6.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.34 -150.15 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -118.82 24.86 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.78 165.79 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 77.4 p -112.85 -21.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.97 141.17 36.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 57.0 t60 -158.77 126.17 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.1 p -118.55 102.38 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 90' ' ' PHE . 95.5 t -52.24 108.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.49 161.72 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.37 72.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 62.0 mt -125.98 155.37 41.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -92.48 152.44 42.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.754 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.465 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.85 157.16 61.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 40.48 31.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.454 HG21 ' CE1' ' A' ' 88' ' ' TYR . 56.6 m -113.96 139.72 48.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' HG23 ' A' ' 86' ' ' THR . 5.0 tp -90.31 147.34 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 75.6 m-85 -142.61 126.59 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -99.24 133.09 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.6 m-85 -135.71 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 93' ' ' LYS . 12.5 ptt85 -113.9 140.02 48.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.2 tp -104.97 121.52 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 46.7 tttt -111.35 148.01 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 93' ' ' LYS . 2.2 m -138.22 142.1 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.2 m -133.51 116.63 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -58.54 159.17 12.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.22 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -105.39 -36.2 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.34 -33.95 0.84 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -54.62 151.22 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -157.54 148.72 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.454 ' CG ' HD11 ' A' ' 16' ' ' LEU . 3.5 mm-40 -137.34 -176.53 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -136.71 148.47 47.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -94.75 159.39 33.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 119.86 6.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.2 t -37.93 136.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.6 m -125.29 102.26 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.8 p -86.22 127.86 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.97 138.76 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.03 126.67 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.7 p -63.88 178.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 72.4 p -92.03 165.35 13.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -72.25 140.14 48.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 72.6 mt-10 -46.83 114.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 t -95.98 101.75 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 48.75 65.93 2.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -9.85 27.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -128.05 129.86 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.4 t -123.9 133.9 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -106.19 96.9 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -165.84 126.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.4 118.4 4.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 6.0 t -138.51 117.35 12.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.84 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.5 m -37.15 -54.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.55 -81.31 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.404 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.89 153.02 43.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -143.29 133.3 12.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.67 7.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.676 2.25 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -112.49 95.52 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp 52.28 27.0 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.6 t -140.0 143.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.1 119.68 53.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.47 27.49 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -77.04 161.44 28.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -74.18 164.42 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -77.12 138.27 64.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.71 153.56 69.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.63 157.81 46.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.557 0.694 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 138.17 37.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.3 t -94.55 156.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' A' ' 34' ' ' LEU . 41.0 t -107.41 107.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.18 -78.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.46 126.18 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.69 102.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -112.74 151.81 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 38.5 p-80 -78.0 9.53 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -134.47 0.15 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 t -171.92 163.2 6.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -134.51 113.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 25.5 tt0 -82.51 143.48 31.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 77' ' ' HIS . 11.2 mt -140.75 154.04 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 49.8 p90 -152.89 120.21 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.468 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.5 p90 -121.27 35.77 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.506 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 6.0 t70 -79.2 13.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.8 -33.2 17.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.57 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -69.73 -55.02 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.532 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -83.0 35.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 17.6 mt-10 -150.66 156.16 40.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -68.29 136.58 53.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -97.85 42.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -74.32 -50.8 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.28 178.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.431 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 60.0 tt0 -51.3 -36.32 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -50.6 -27.12 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.6 mp0 -96.41 27.63 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.431 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 35.6 m0 -104.51 155.61 18.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 47.8 mt -98.33 150.41 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -99.28 152.82 19.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -136.94 120.42 17.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -120.5 117.22 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -98.73 139.28 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 24.2 mt-10 -132.71 146.21 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' CG ' ' CG2' ' A' ' 69' ' ' ILE . 1.7 pp20? -122.36 138.57 54.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -87.6 151.01 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 7.7 m-20 -117.1 134.39 23.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.18 28.95 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -91.84 -31.97 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' HIS . 1.9 mtt -103.42 -1.09 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 34.7 37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -140.39 160.83 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -96.37 157.99 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.35 128.78 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 94.7 t -60.07 86.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 70' ' ' TYR . 47.4 pt -67.9 -34.11 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.533 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.1 t80 -142.71 143.55 32.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 124.34 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.32 -148.18 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -120.87 23.82 10.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.29 173.34 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.468 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 67.8 p -120.28 -30.6 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -94.44 136.36 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 47.7 t60 -153.7 134.11 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.2 p -128.45 103.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 90' ' ' PHE . 97.0 t -56.81 110.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.74 167.32 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.54 74.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 55.6 mt -131.34 165.29 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -104.59 156.46 35.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 54.2 Cg_endo -69.71 139.66 40.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.4 48.63 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.423 HG22 ' CZ ' ' A' ' 88' ' ' TYR . 97.8 m -127.39 129.65 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.1 tm? -78.1 140.3 39.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 61.3 m-85 -139.73 113.04 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -87.6 139.83 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 79' ' ' VAL . 61.1 m-85 -140.3 136.19 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.49 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 10.8 ptm180 -113.16 129.79 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.58 118.09 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -105.84 149.43 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.54 144.93 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -135.63 115.72 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.467 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.6 m -57.39 157.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.721 0.772 . . . . 0.0 110.806 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 t -104.92 -31.04 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.6 -33.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -59.4 155.88 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -157.23 153.08 26.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.467 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 15.3 mm-40 -137.82 -175.78 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 39.9 m-85 -141.07 145.24 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -93.02 162.69 27.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.7 119.69 6.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -38.5 136.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -122.61 102.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 3.4 p -86.28 124.4 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.0 m -131.18 130.07 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.92 121.63 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.2 p -56.44 179.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 25.2 p -94.78 168.25 10.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -76.75 143.26 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 24.0 mp0 -40.8 141.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.6 p -53.39 -43.98 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.8 147.09 17.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 123.7 10.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.7 m -98.57 175.25 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 t -78.84 162.73 25.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -145.71 124.84 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -155.71 147.75 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.98 151.5 5.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -123.7 160.6 26.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -118.76 117.83 29.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 tpp -110.55 90.4 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -124.94 147.41 56.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 165.24 31.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 13' ' ' VAL . 3.5 p-80 -57.39 -175.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' HIS . 5.4 ptmt -34.19 -39.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.594 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 4.1 p -129.83 147.27 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -80.73 122.6 82.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 166.74 26.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -66.4 169.41 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -86.34 161.79 18.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -65.09 136.6 96.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.3 Cg_endo -69.7 149.08 66.77 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.378 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -79.03 157.17 76.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 140.62 43.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.52 42.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.524 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 16.5 t -81.91 151.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.6 t -115.41 97.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.63 -79.67 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.86 136.97 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.15 101.4 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 p -102.31 153.86 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 16.9 p-80 -74.37 4.13 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -123.33 -17.03 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -157.69 176.49 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 82' ' ' LEU . 87.6 mt -138.5 125.73 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.3 142.61 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.6 mt -144.86 138.41 26.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 27.4 p90 -152.4 121.9 6.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 46.0 p90 -122.64 30.21 6.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 36.1 t0 -76.81 43.14 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' N ' HE22 ' A' ' 40' ' ' GLN . 10.3 mt -117.19 -33.39 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -77.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.615 HE22 ' N ' ' A' ' 38' ' ' LEU . 2.6 pm0 -38.18 -47.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' C ' ' O ' ' A' ' 40' ' ' GLN . 27.9 mttt 18.94 54.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' GLN . 53.8 tt0 -134.71 148.62 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.74 132.68 48.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -73.5 -7.5 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ARG . 33.7 mm-40 -36.76 101.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.73 -171.73 23.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 165.58 30.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.62 -37.62 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.83 -16.76 4.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -94.53 21.82 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -101.43 166.0 10.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.61 148.72 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -95.12 140.11 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.79 113.04 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.97 133.73 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.0 mm -105.23 140.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 1.5 mp0 -128.24 171.69 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -145.32 152.16 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 18.9 tt0 -97.43 146.58 25.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 8.4 m-20 -102.55 125.15 36.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -29.95 23.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.86 -36.77 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.471 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 52.2 mtp -87.23 -24.09 24.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASP . 20.3 m-70 60.81 26.0 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 176.75 7.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 36.9 m-85 -117.87 167.54 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.94 120.83 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.67 105.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 pt -81.45 -31.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.567 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 86.2 t80 -138.29 141.11 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -147.36 118.24 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.63 -152.16 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -123.26 24.59 8.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.06 179.37 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.477 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 18.3 p -119.81 -19.14 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.8 ttm180 -103.57 162.77 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 83.6 t60 -170.45 149.12 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.5 t -140.29 114.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.471 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 93.7 t -75.11 111.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -92.45 164.96 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.8 66.4 2.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 56.5 mt -124.68 163.69 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -103.31 155.29 36.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.7 134.72 28.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 57.06 51.12 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.5 m -130.89 134.5 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 88' ' ' TYR . 2.2 tm? -81.08 138.59 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 52.4 m-85 -136.8 112.39 9.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 29.0 mttt -87.09 137.62 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 64.9 m-85 -139.39 138.82 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 4.9 ptm85 -117.2 129.11 55.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tp -91.34 131.96 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -117.04 147.59 42.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.88 143.32 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.4 m -132.33 107.84 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 100' ' ' GLU . 3.6 p -46.91 154.81 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.35 2.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -108.51 -31.48 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.27 -32.31 1.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' SER . 26.8 mm-40 -58.26 152.04 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -158.01 144.15 17.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.462 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mm-40 -132.46 -174.7 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -135.12 145.09 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.42 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.3 p -93.94 159.86 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.752 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.88 7.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.1 t -39.52 138.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.5 m -122.49 102.96 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.471 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.0 p -85.41 119.76 26.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 32' ' ' ILE . 27.9 m -128.66 132.2 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.27 124.48 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 p -61.77 -174.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 47.6 p -104.74 -179.34 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 155.08 39.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 12.7 pt-20 -91.05 145.86 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -104.24 51.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.69 161.34 14.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.16 59.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.6 t -79.18 -47.57 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m -116.49 -45.91 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -164.35 143.74 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -159.79 170.06 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 107.82 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -135.7 158.13 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -165.26 160.06 18.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.57 168.71 31.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mtt -96.45 -43.99 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -159.09 150.14 16.26 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.611 0.72 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.72 5.27 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' LYS . 58.7 t60 -50.7 173.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -35.21 -45.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 146.11 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.25 124.03 87.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.57 27.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 102' ' ' GLU . 4.0 pp -64.63 157.08 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -58.08 137.62 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -59.34 136.93 88.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.71 150.39 68.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.382 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.673 ' HE2' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.51 161.96 43.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.16 41.97 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.94 43.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 52.2 t -87.17 159.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 34' ' ' LEU . 89.9 t -120.42 97.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.1 -78.83 0.52 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -88.62 134.26 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.89 98.1 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -95.45 154.14 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 21.5 p-80 -75.17 5.39 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -125.3 -12.25 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.08 172.01 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -130.3 127.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.92 135.61 34.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 24' ' ' VAL . 21.2 mt -138.44 142.49 39.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 25.3 p90 -152.06 123.14 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' LEU . 36.5 p90 -111.31 17.96 19.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 15.2 t70 -38.99 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 36' ' ' TRP . 3.0 mm? -45.81 -47.58 15.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.673 ' N ' ' HE2' ' A' ' 20' ' ' HIS . 3.0 mm-40 -48.89 -68.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.606 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 1.1 pm0 -76.56 105.01 7.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -114.13 -50.99 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.86 129.39 37.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -43.37 151.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.97 141.73 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -104.32 -61.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.76 -165.05 32.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLN . 53.6 Cg_endo -69.72 156.55 63.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.491 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 40.5 tt0 -35.3 -46.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 12.6 pt-20 -51.71 -44.84 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' PRO . 45.5 mm-40 -55.41 -35.93 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 36.4 m0 -36.68 154.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 10.1 mt -90.81 152.09 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -95.87 149.51 21.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 68.8 m-85 -137.65 118.14 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 p -112.08 139.82 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -121.99 113.03 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 24.4 mt-10 -106.29 162.78 13.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -129.3 140.24 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -85.97 156.67 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 13.7 m-20 -118.77 130.12 25.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -21.56 32.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -105.65 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.438 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 20.8 mmt -81.64 -19.49 41.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 50.88 33.94 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -132.01 159.36 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.561 ' CD1' ' HD2' ' A' ' 91' ' ' ARG . 90.3 m-85 -96.02 146.77 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.71 127.12 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 34.9 t -62.13 96.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.05 -29.24 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -142.72 145.39 33.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -151.9 111.15 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.57 -154.92 8.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.87 25.09 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.56 -174.78 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.7 p -118.85 -37.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 19.6 ttp-105 -93.16 156.84 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 53.5 t60 -165.58 108.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 50.9 t -95.23 96.23 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.476 HG21 ' CE1' ' A' ' 90' ' ' PHE . 56.0 t -53.97 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.63 163.07 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.65 74.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 89.7 mt -137.48 172.68 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -116.65 152.93 48.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 146.37 60.05 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 55.1 28.85 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.579 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 55.4 m -113.68 137.76 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.93 146.89 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 54.9 m-85 -142.35 132.54 24.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 29.8 mttm -101.51 135.28 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.7 m-85 -137.72 141.94 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.561 ' HD2' ' CD1' ' A' ' 66' ' ' TYR . 3.1 ptm85 -120.75 140.0 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 tp -102.78 130.88 49.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 15.4 tttt -118.12 156.07 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 m -146.55 138.21 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.3 m -131.76 118.74 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 m -64.54 159.25 61.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 3.26 2.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.6 m -106.98 -33.18 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.79 -32.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.68 153.25 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -157.46 156.55 32.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 16' ' ' LEU . 5.7 mm-40 -144.36 173.92 11.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 28.4 m-85 -131.63 140.93 49.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -93.0 159.71 35.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.37 7.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -44.62 136.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.2 m -121.58 113.33 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.6 p -90.15 131.5 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.06 141.87 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.39 123.01 49.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -62.45 -173.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 40.1 p -104.45 157.88 16.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -64.28 143.3 57.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 13.7 mt-10 -56.93 161.6 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.5 t -107.99 158.02 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 167.62 -114.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.58 37.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.1 p -59.09 102.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.7 t -79.83 -56.13 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -133.24 167.38 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -75.31 117.48 17.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.7 -128.39 4.66 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -154.76 161.48 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -121.4 135.67 55.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.92 -167.11 32.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 tpp -164.25 147.92 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -118.49 151.92 50.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.59 37.71 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.513 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -57.21 -79.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.6 OUTLIER -120.4 -38.89 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.93 134.92 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.31 127.53 26.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.46 27.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -81.56 169.02 17.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.4 p -53.9 129.26 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -53.92 136.9 56.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.5 Cg_endo -69.78 138.45 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.304 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.98 159.21 84.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.34 47.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.15 59.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 5.8 t -89.64 154.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.0 96.63 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.5 -78.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -90.72 131.72 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 p -123.04 119.28 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.441 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 10.6 p -121.59 158.25 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 34.5 p-80 -75.76 1.13 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.8 p80 -117.37 -26.51 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 39.5 p -155.08 170.92 20.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 82' ' ' LEU . 95.4 mt -132.75 130.66 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.13 141.59 30.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.7 mt -144.44 130.77 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 44.8 p90 -140.63 123.73 16.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.1 p90 -123.7 34.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -74.15 9.29 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' TRP . 25.0 mt -72.72 -35.08 67.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -68.35 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.633 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -63.89 109.78 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -123.65 -44.78 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -50.01 145.75 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 118.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' HD3' ' CD2' ' A' ' 51' ' ' TRP . 54.6 mtt85 -65.78 81.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -80.66 -51.3 8.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.88 -175.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 8.9 tt0 -47.15 -41.2 17.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.89 -32.39 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' CD ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -83.67 29.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 36.9 m0 -103.93 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 14.2 mt -86.96 146.99 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -100.34 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 80.5 m-85 -135.58 116.66 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -119.25 125.18 48.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.66 144.62 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 36.8 mt-10 -137.31 146.99 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -124.62 138.88 54.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 64.0 tt0 -88.61 143.13 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 129.72 24.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -98.83 -35.97 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 65' ' ' SER . 13.5 mmt -100.05 3.24 44.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.2 34.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.1 m -133.26 162.61 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 91' ' ' ARG . 83.4 m-85 -97.71 167.48 10.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.41 132.01 3.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -65.93 89.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 77' ' ' HIS . 40.0 pt -72.19 -32.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.8 t80 -142.87 143.65 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 t -152.05 115.97 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.73 -151.96 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.62 27.12 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 -176.98 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.5 p -118.52 -37.98 3.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -84.52 159.36 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 67.1 t60 -167.18 122.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.57 103.55 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.21 110.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -89.36 175.06 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 53.69 74.97 0.25 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.535 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 93.7 mt -131.14 167.29 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -107.14 153.37 41.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 135.11 29.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 56.92 43.9 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 m -122.94 138.82 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.1 tm? -85.09 143.48 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 56.2 m-85 -142.11 113.82 7.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -89.29 137.5 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 56.5 m-85 -136.8 146.18 45.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 66' ' ' TYR . 7.4 ptt180 -122.52 131.0 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.43 121.42 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -108.01 147.99 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.75 146.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.4 m -136.83 113.46 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' GLU . 4.6 p -49.92 155.59 1.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 5.34 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.7 m -112.34 -33.01 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.19 -37.42 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 6.5 mm-40 -54.09 156.35 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -158.77 163.0 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mm-40 -151.57 -175.06 5.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 38.3 m-85 -142.45 145.61 33.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -91.68 162.74 30.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.77 121.4 8.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' PRO . 84.0 t -36.45 136.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.18 103.27 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.447 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 20.4 p -88.32 127.45 35.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.42 ' N ' HD22 ' A' ' 87' ' ' LEU . 16.9 m -136.11 136.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.36 123.94 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -61.58 179.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 31.3 p -94.63 174.28 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLU . 14.8 ptt180 -80.81 140.67 35.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.564 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 15.4 mt-10 -36.62 136.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.3 t -104.41 114.43 28.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.09 113.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -18.81 36.47 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -70.9 128.49 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -99.63 -48.95 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -151.97 171.8 17.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 0.0 110.805 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -97.44 109.53 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 123.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -112.41 81.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -149.48 131.28 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 76.14 0.29 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 mmt -58.31 -53.11 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -146.4 140.64 15.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -179.46 2.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' A' ' 12' ' ' LYS . 1.5 p-80 -87.75 -73.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -127.6 -34.77 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.36 139.13 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -82.68 130.68 57.46 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.43 27.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 102' ' ' GLU . 4.1 pp -66.34 158.31 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -75.3 131.41 40.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -45.59 139.17 4.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 173.61 10.72 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -109.3 159.49 31.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.9 Cg_endo -69.82 142.24 47.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.355 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 156.73 62.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 50.9 t -94.28 149.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.6 t -108.41 97.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -77.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 57.5 tttt -90.8 129.37 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 p -124.98 104.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.438 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 20.2 p -104.45 175.86 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 33.5 p-80 -92.6 9.38 34.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 4.2 p80 -124.49 -27.37 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -153.65 173.66 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.7 mt -130.74 130.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -88.25 135.99 33.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 41.9 mt -140.84 133.28 28.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.2 p90 -140.67 127.71 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -127.8 36.15 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 38.8 p30 -77.61 16.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' TRP . 16.8 mt -82.93 -36.08 25.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 20' ' ' HIS . 5.1 mm-40 -67.27 -65.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.779 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -78.03 43.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -77.63 -50.98 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.69 -178.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -54.12 -177.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' HG2' ' CZ2' ' A' ' 51' ' ' TRP . 1.6 mpp_? -100.98 -27.26 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 55.33 37.69 29.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.36 -179.52 21.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 170.76 15.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.305 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 58.6 tt0 -49.61 -38.58 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.58 -30.78 65.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -89.47 28.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 34.2 m0 -102.33 166.42 10.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mp -87.38 149.37 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 54' ' ' PHE . 15.4 tpp180 -88.84 150.71 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 23.3 m-85 -139.85 112.1 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m -120.18 130.0 54.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mm -108.8 134.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 mt-10 -128.28 149.76 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 2.2 pp20? -123.69 138.23 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 25.6 tt0 -89.24 143.26 26.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.28 129.85 24.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.98 36.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -101.63 -33.68 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 14.2 mtt -96.71 2.37 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.02 35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 7.0 t -140.09 162.58 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 43.0 m-85 -98.11 170.21 9.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.18 129.66 2.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 87.8 t -64.41 92.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.0 pt -73.3 -32.83 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.3 t80 -142.98 143.89 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -151.84 125.16 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.33 -150.33 12.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 2.5 m-85 -121.1 28.58 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.83 -176.39 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.566 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 37.1 p -125.42 -39.24 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 36.2 ttt180 -90.06 152.07 21.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 72.0 t60 -162.5 117.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.54 105.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 90' ' ' PHE . 97.6 t -65.14 106.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.22 171.68 9.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.62 60.36 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 82.2 mt -123.95 162.69 22.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -106.09 157.06 35.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 56.91 39.47 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.449 HG22 ' CE2' ' A' ' 88' ' ' TYR . 89.3 m -117.34 133.32 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.4 tm? -82.82 142.45 31.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 57.5 m-85 -142.68 112.76 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 43.5 mttt -89.89 131.28 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 70.1 m-85 -130.09 151.61 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' NE ' ' CD2' ' A' ' 103' ' ' TYR . 2.5 ptm85 -129.89 129.46 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -91.34 126.55 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 21.3 tttt -116.03 143.96 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.25 145.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -132.83 113.54 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 98' ' ' SER . 85.7 p -53.44 153.79 6.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.745 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 12.05 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 96' ' ' SER . 5.4 t -117.43 -27.68 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.86 -30.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' SER . 13.0 mt-10 -60.2 153.73 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -157.58 166.41 32.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' CG ' HD11 ' A' ' 16' ' ' LEU . 25.6 mm-40 -157.45 -175.56 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.495 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 14.0 m-85 -137.35 146.77 44.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.432 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.87 163.98 22.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.232 . . . . 0.0 112.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.7 t -40.17 134.44 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.73 102.52 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.41 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 11.9 p -83.93 127.85 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.01 131.73 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.28 125.64 43.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.3 p -60.75 -179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 49.8 p -96.61 -179.44 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.92 161.79 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.9 mp0 -66.55 95.45 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 9.6 t 36.53 43.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.68 -157.5 20.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 133.23 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.6 t -133.34 109.1 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.3 p -63.43 134.34 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -164.87 150.59 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -169.34 170.1 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.13 107.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -123.43 42.51 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p -169.99 173.61 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.81 131.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.6 tpp -101.65 124.54 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -134.32 131.87 20.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.16 17.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.34 110.66 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt 57.9 40.18 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -170.29 134.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.48 109.67 60.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 166.48 27.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 101' ' ' TYR . 1.2 pt? -76.63 160.53 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -62.17 170.36 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -87.74 137.39 31.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -99.68 157.8 33.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.842 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 138.64 38.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.381 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.87 43.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 t -85.85 151.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' CD2' ' A' ' 34' ' ' LEU . 60.8 t -110.73 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.61 -85.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -85.03 130.94 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.44 116.74 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.2 p -118.23 164.44 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -83.1 6.57 18.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -124.56 -18.86 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -158.25 -179.71 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.2 mt -143.7 126.27 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -82.26 138.93 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' CD2' HG23 ' A' ' 24' ' ' VAL . 29.0 mt -144.57 133.24 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.8 p90 -140.95 119.73 12.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.575 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 43.5 p90 -114.01 38.52 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' CG ' ' NE2' ' A' ' 40' ' ' GLN . 13.5 t70 -81.44 26.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.72 -4.99 32.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.2 mt-10 -100.14 -42.05 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -95.27 29.62 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -55.71 -55.27 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -46.4 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -55.81 176.2 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -108.26 89.12 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -42.17 130.7 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.74 -161.85 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -166.24 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -70.51 -22.06 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.92 -21.65 66.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -100.5 29.32 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -102.1 161.96 13.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.84 153.0 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.8 148.49 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -138.28 112.07 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -113.14 133.65 54.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.575 HD12 ' CZ3' ' A' ' 36' ' ' TRP . 25.1 mm -108.07 121.03 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -115.7 173.64 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.4 tp10 -153.18 155.49 36.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 33.3 tt0 -80.52 152.8 28.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 6.3 m-20 -113.44 116.84 45.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.42 30.92 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -99.06 -26.82 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.644 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 33.8 mmt -105.01 -4.94 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.7 OUTLIER 43.37 37.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -148.32 168.26 23.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 59' ' ' GLU . 2.9 m-85 -106.32 160.85 15.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' C ' HG22 ' A' ' 68' ' ' VAL . . . -145.42 -124.13 1.65 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG22 ' C ' ' A' ' 67' ' ' GLY . 96.3 t -157.25 106.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 56' ' ' ILE . 17.6 pt -85.5 -32.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.538 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.0 t80 -143.18 146.15 33.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.77 105.35 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.58 -164.14 24.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -103.12 -8.24 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.61 163.27 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 49.1 p -107.9 -26.27 10.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 51.0 ttp180 -101.74 153.0 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.0 t60 -163.7 109.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.79 101.14 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 58.3 t -59.68 105.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.3 172.03 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.88 75.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 96.0 mt -134.59 158.68 43.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -99.19 153.53 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.93 52.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.612 2.208 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 49.5 52.7 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.428 HG23 ' CE2' ' A' ' 88' ' ' TYR . 30.6 m -134.09 127.75 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.7 tm? -69.94 142.27 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 46.9 m-85 -140.44 112.98 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 38.0 mttm -89.2 135.83 33.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 58' ' ' GLU . 60.3 m-85 -137.83 129.05 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HD3' ' CD ' ' A' ' 57' ' ' GLU . 2.1 ptm180 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.1 tp -90.65 129.39 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.0 tttt -112.41 153.58 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.9 m -146.3 138.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.5 m -132.81 113.85 13.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -58.1 158.6 13.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.673 0.749 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.97 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 t -102.13 -32.16 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.22 -27.18 2.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.96 153.0 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.405 ' CA ' HD23 ' A' ' 16' ' ' LEU . 54.8 p90 -155.61 143.33 19.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 27.2 mm-40 -130.97 174.98 9.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 27.5 m-85 -128.68 141.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.405 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.27 160.72 34.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.626 0.726 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.2 Cg_endo -69.69 114.86 3.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.404 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 10.3 p -41.48 138.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.46 103.0 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 11.9 p -79.99 122.07 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.31 127.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.1 124.12 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.7 p -58.7 178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.2 p -92.6 178.03 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -93.9 136.36 34.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -47.08 165.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -130.22 118.79 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.44 -166.9 38.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.76 9.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 m -74.34 -61.11 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.0 m -68.2 -59.18 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -72.2 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -165.49 112.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.68 96.71 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -174.83 119.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.363 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -129.67 152.53 49.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.47 96.02 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -131.22 42.14 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.704 0.288 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.12 153.44 39.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.4 3.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.62 2.213 . . . . 0.0 112.342 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -92.38 -68.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -24.39 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.8 t -84.71 136.7 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.24 115.41 15.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.25 28.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.45 176.64 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -62.12 139.31 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 135.08 95.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.73 148.73 65.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -87.6 158.86 50.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.815 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.3 39.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 141.28 44.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.561 ' HB ' ' CE2' ' A' ' 35' ' ' TYR . 5.0 t -85.89 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG2' HG13 ' A' ' 109' ' ' VAL . 48.7 t -108.51 108.31 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.43 -83.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -82.25 125.99 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.51 90.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -103.38 146.56 28.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 30' ' ' HIS . 23.4 p-80 -71.59 2.72 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 29' ' ' HIS . 92.8 m-70 -119.14 -26.01 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.27 174.94 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' CD1' HG22 ' A' ' 111' ' ' THR . 85.0 mt -143.58 111.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 26.2 tt0 -83.18 147.87 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 24' ' ' VAL . 7.3 mt -144.45 154.13 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 23' ' ' VAL . 46.9 p90 -152.38 117.54 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.513 ' CH2' HG13 ' A' ' 56' ' ' ILE . 40.7 p90 -116.12 40.21 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 1.9 t70 -79.66 14.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -88.27 14.03 10.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -121.43 -65.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -79.37 41.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 22.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -100.52 149.58 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -51.62 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -123.48 46.97 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' ARG . 15.9 mt-30 -36.63 -49.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.24 -179.26 48.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 173.64 10.7 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HA ' ' NE1' ' A' ' 51' ' ' TRP . 37.8 tt0 -55.03 -39.91 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -51.1 -21.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -92.43 25.93 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.455 ' NE1' ' HA ' ' A' ' 48' ' ' GLN . 34.9 m0 -97.96 161.33 13.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.72 140.99 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -86.43 148.94 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -137.05 112.02 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -112.88 121.14 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 36' ' ' TRP . 36.2 mm -102.42 132.78 47.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 28.9 mt-10 -123.38 157.8 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.79 134.71 48.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 45.3 tt0 -95.48 156.99 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -114.3 130.65 23.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.86 37.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.82 -35.29 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 5.0 mtt -95.59 -5.71 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 39.94 31.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -125.67 157.29 37.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 38.1 m-85 -102.13 171.03 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.09 124.63 1.27 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.546 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 88.1 t -59.66 102.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -82.9 -31.74 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 85.2 t80 -141.71 144.44 34.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -150.68 112.32 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.57 7.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.49 22.34 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.41 179.4 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.465 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 43.0 p -122.57 -38.86 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -86.38 143.06 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.8 t60 -159.58 125.5 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CB ' ' HA ' ' A' ' 33' ' ' GLU . 3.4 p -121.24 101.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.562 HG23 ' CE1' ' A' ' 90' ' ' PHE . 61.3 t -49.03 103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -79.29 151.81 30.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.43 83.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 85.0 mt -136.39 158.78 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.44 150.72 37.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.43 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.73 142.74 48.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 56.43 44.51 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.5 m -128.49 135.53 49.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 2.1 tm? -80.22 143.06 34.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 65.3 m-85 -141.04 113.81 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 67.0 mttt -87.44 136.67 32.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 25.4 m-85 -137.03 134.21 36.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.467 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 8.1 ptt85 -118.28 143.12 46.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.466 HD22 ' CG ' ' A' ' 36' ' ' TRP . 19.5 tp -108.29 121.02 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 48.8 tttt -113.02 145.08 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.8 m -134.22 143.05 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.1 m -133.88 112.65 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.6 p -55.69 155.76 10.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.86 2.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -106.43 -30.94 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.98 -33.45 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 7.6 mm-40 -60.45 151.94 26.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -158.85 157.54 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -140.79 -174.97 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -139.12 140.55 37.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.45 161.03 33.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.702 0.763 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.78 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 8.1 p -44.3 134.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.3 m -116.0 102.45 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . 16.2 p -82.77 125.38 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.448 HG13 ' CG2' ' A' ' 24' ' ' VAL . 8.9 m -134.82 127.73 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.5 122.24 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.422 HG22 ' CD1' ' A' ' 32' ' ' ILE . 5.8 p -57.44 171.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 69.7 p -87.88 -177.29 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -95.68 136.66 35.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.1 mp0 -47.75 108.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -75.06 -32.16 61.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -139.24 -178.06 16.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.46 59.91 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.7 m -66.48 167.7 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.3 m -102.42 40.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.2 t 68.86 42.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' SER . 12.3 t -36.97 -61.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.12 -175.45 24.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -142.29 148.31 37.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -157.08 159.09 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.36 62.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.58 120.86 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.69 0.281 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 9.1 tt0 -129.44 143.36 48.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.8 Cg_endo -69.78 173.85 10.4 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -57.05 -179.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -45.14 -27.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -84.98 141.8 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -99.33 112.14 62.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.42 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 17' ' ' SER . 4.5 pp -65.7 161.98 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.456 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 74.6 m -65.34 141.59 58.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -62.13 137.66 95.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.29 37.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.563 ' HE2' ' N ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -76.28 161.68 74.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.46 42.94 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.356 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.48 57.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.542 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 61.3 t -89.17 157.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 34' ' ' LEU . 97.4 t -116.71 105.57 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.57 -77.0 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.19 131.48 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.32 99.17 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -102.72 149.54 24.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 50.6 p-80 -74.68 5.24 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -124.04 -12.58 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -162.14 178.48 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG13 ' CD1' ' A' ' 82' ' ' LEU . 93.1 mt -139.3 123.74 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -82.29 137.03 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 24' ' ' VAL . 21.1 mt -141.66 137.78 32.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 34.4 p90 -145.05 120.72 10.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' LEU . 37.6 p90 -109.28 13.73 24.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TRP . 2.1 p30 -37.54 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 36' ' ' TRP . 2.9 mm? -42.03 -51.98 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.563 ' N ' ' HE2' ' A' ' 20' ' ' HIS . 4.7 mm-40 -46.03 -70.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' OE1' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -66.45 -76.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 40' ' ' GLN . 4.6 mmmt 32.51 48.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' LYS . 16.9 tt0 -157.37 149.55 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.6 pttt -34.39 132.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -84.89 51.44 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 160.1 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.82 167.86 7.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 170.32 16.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 11.2 tm0? -57.49 -36.48 71.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.13 -19.33 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.29 16.73 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.495 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 47.3 m0 -94.24 -175.42 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 40.5 mt -116.95 143.15 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -93.12 137.45 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 95.8 m-85 -126.9 123.28 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 mm -99.9 133.76 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -124.89 168.83 12.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.5 146.5 38.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.9 tt0 -91.04 147.46 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -108.74 125.79 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.49 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -100.09 -42.96 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mtt -86.05 -12.71 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 48.58 31.01 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -131.49 167.62 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -105.88 153.37 22.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.35 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -68.29 101.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.2 pt -81.18 -35.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.579 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 68.9 t80 -141.61 144.5 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -150.48 131.27 14.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.43 -148.91 13.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -124.95 25.17 7.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 -179.98 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.492 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 65.6 p -117.81 -39.3 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 59.7 ttp180 -92.44 159.85 15.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 45.3 t60 -164.79 111.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.89 97.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.47 104.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.69 163.8 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.36 64.2 3.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD23 ' CZ ' ' A' ' 88' ' ' TYR . 37.7 mt -125.2 171.32 10.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -112.96 152.46 44.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.461 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.4 Cg_endo -69.78 135.69 31.04 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 61.18 41.08 13.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.611 ' CG2' ' CE1' ' A' ' 88' ' ' TYR . 22.8 m -124.73 141.99 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.08 147.08 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.611 ' CE1' ' CG2' ' A' ' 86' ' ' THR . 59.3 m-85 -142.09 136.43 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.472 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 22.6 mttm -107.8 136.47 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 35.7 m-85 -139.97 142.77 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -119.16 128.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 tp -90.55 131.53 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.613 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -125.4 154.83 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.48 152.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.7 m -139.1 114.11 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.473 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 p -56.77 156.7 11.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.4 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -110.1 -32.01 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.92 -33.53 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.78 150.19 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.472 ' HB2' ' CE ' ' A' ' 93' ' ' LYS . 49.5 p90 -158.62 149.81 20.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -142.42 161.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.613 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 6.8 m-85 -115.04 145.31 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -95.44 160.05 31.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.57 7.33 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 95.2 t -42.84 140.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -124.45 118.3 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -95.92 129.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.2 m -138.08 140.08 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.13 125.68 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 p -62.92 -174.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.6 p -98.86 177.24 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 113' ' ' ARG . 0.6 OUTLIER -85.18 142.84 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 39.8 mt-10 -43.38 108.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 t -73.51 116.5 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.14 -158.42 9.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.552 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 179.25 3.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.6 p -124.28 133.82 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.7 t -38.98 -60.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 p -61.6 161.07 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -78.89 136.75 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.72 153.96 68.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -88.51 156.94 50.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.77 140.4 42.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.3 Cg_endo -69.71 142.45 48.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.408 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.602 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.9 t -87.03 153.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.101 HG21 HG11 ' A' ' 109' ' ' VAL . 58.6 t -109.62 104.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.02 -81.15 0.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -86.0 133.75 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 HG23 ' A' ' 112' ' ' THR . 59.0 t -121.59 109.53 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 11.5 p -111.8 148.84 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.3 p80 -72.42 2.13 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 11.1 p-80 -126.58 -7.51 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.72 174.02 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' CG1' HG22 ' A' ' 111' ' ' THR . 96.4 mt -141.13 121.37 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.906 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.2 tt0 -83.5 140.97 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 22' ' ' PRO . 22.1 mt -140.75 142.48 34.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.602 ' OH ' HG11 ' A' ' 23' ' ' VAL . 43.2 p90 -149.4 117.86 6.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 38.0 p90 -113.68 41.55 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.95 27.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -110.27 8.04 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 3.7 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.2 m0 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.19 157.79 16.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -98.42 140.63 32.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.14 114.41 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -116.47 125.36 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -105.31 139.43 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CG ' HG22 ' A' ' 68' ' ' VAL . 13.4 mt-10 -129.01 170.27 13.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.0 pt-20 -144.85 139.33 27.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -85.96 148.91 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -105.87 128.3 26.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -18.42 37.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.77 -36.42 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' SER . 32.4 mtm -97.5 1.23 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER 36.48 32.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.3 t -128.7 162.7 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 63.7 m-85 -98.66 158.63 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.3 121.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' GLU . 60.1 t -57.71 101.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 58' ' ' GLU . 30.0 pt -78.84 -29.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.457 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.9 t80 -142.09 148.88 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -151.21 113.13 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.189 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.06 -159.2 21.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.0 -7.37 15.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 156.61 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 27.4 p -102.75 -13.85 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.488 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.9 ttm180 -111.46 159.86 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 63.7 t60 -167.01 141.21 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.906 HG22 ' HA ' ' A' ' 33' ' ' GLU . 19.6 t -129.82 109.78 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 73.7 t -64.99 105.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -82.92 154.65 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 70.62 80.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 75.0 mt -135.42 171.85 13.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.7 153.59 49.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 136.57 33.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 62.02 38.96 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.735 HG22 ' CE1' ' A' ' 88' ' ' TYR . 24.0 m -122.74 136.69 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -89.67 148.07 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.735 ' CE1' HG22 ' A' ' 86' ' ' THR . 66.9 m-85 -142.06 133.77 26.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 31.6 m-85 -137.63 139.23 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 12.2 ptm180 -117.03 130.88 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 20' ' ' HIS . 18.4 tp -94.86 123.97 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -113.24 144.95 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.76 148.2 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -136.34 116.28 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -55.57 158.67 5.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 2.77 3.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 m -105.76 -32.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.6 -35.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.53 154.3 6.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -157.84 146.34 19.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 25.7 mm-40 -130.47 -175.03 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -137.24 146.05 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -92.99 157.68 38.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.21 8.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -37.28 136.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 90' ' ' PHE . 2.7 m -124.96 102.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 87' ' ' LEU . 54.0 p -86.75 128.2 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 24' ' ' VAL . 13.8 m -136.37 137.87 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.67 128.1 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.582 HG22 ' CG1' ' A' ' 32' ' ' ILE . 33.9 p -65.78 -179.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.483 HG23 HG12 ' A' ' 27' ' ' VAL . 22.6 p -93.52 169.13 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -78.57 150.8 32.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HG2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 16' ' ' LEU . 78.8 p -79.97 137.09 36.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -54.59 133.49 64.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -85.73 158.42 56.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 110.825 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.8 Cg_endo -69.76 138.53 38.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.18 42.22 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 24' ' ' VAL . 4.8 t -81.59 160.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.075 HG21 HG11 ' A' ' 109' ' ' VAL . 87.1 t -117.69 96.46 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.81 -87.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -83.99 128.05 34.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 27' ' ' VAL . 13.6 p -121.24 105.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.506 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 54.5 p -110.11 174.2 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.602 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 12.3 p80 -89.71 9.11 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.6 p80 -123.81 -28.43 3.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 82' ' ' LEU . 77.5 p -155.98 165.35 36.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 109' ' ' VAL . 48.4 mt -126.29 127.75 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CG2' ' A' ' 78' ' ' VAL . 8.9 tp10 -83.27 140.03 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 28.4 mt -140.9 131.88 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 50.9 p90 -143.04 118.77 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -117.09 31.75 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.694 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -77.26 41.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 37' ' ' ASP . 1.6 mm? -117.83 -12.98 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.6 m0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.49 161.33 18.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -106.47 148.71 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -134.39 115.74 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -122.82 122.43 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.55 HD11 ' CH2' ' A' ' 36' ' ' TRP . 8.5 mm -99.85 149.6 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 2.3 mp0 -138.56 165.71 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 141.5 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -90.36 158.32 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.5 m-20 -112.8 128.59 25.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -26.5 27.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 63' ' ' MET . 4.8 ptmm? -97.96 -43.55 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.456 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 7.4 mmt -79.1 -35.62 41.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 72.39 25.35 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -127.59 158.55 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 47.4 m-85 -99.88 155.91 17.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.96 137.14 6.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.12 97.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.2 pt -77.72 -32.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 82.7 t80 -142.65 143.38 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.8 t -151.6 121.45 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.25 -151.97 11.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.84 25.91 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.67 178.97 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 19.2 p -120.53 -29.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 18.8 ttm105 -97.68 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.5 t60 -170.44 107.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.504 ' CG2' ' OE1' ' A' ' 33' ' ' GLU . 57.2 t -91.4 91.83 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.0 t -47.69 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -85.16 170.48 12.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 59.11 79.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 31' ' ' SER . 92.1 mt -137.97 161.92 35.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -106.83 153.7 40.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.657 0.742 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.65 38.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 56.9 46.67 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.2 m -130.18 136.2 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 108' ' ' SER . 1.8 tm? -85.38 141.5 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.3 m-85 -138.66 114.05 9.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.4 mttm -91.21 133.32 35.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 54.3 m-85 -132.29 149.15 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 11.9 ptm180 -124.73 126.92 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 93' ' ' LYS . 14.1 tp -90.81 130.83 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.1 tttt -117.49 149.34 40.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -141.29 145.9 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -142.29 118.55 10.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 159.79 33.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.66 0.743 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.27 2.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 m -103.62 -34.48 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.4 -36.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.86 151.35 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.572 ' HA ' HD21 ' A' ' 16' ' ' LEU . 43.7 p90 -158.45 155.22 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 16' ' ' LEU . 2.7 mm-40 -145.07 -179.83 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -131.23 152.33 50.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.34 159.78 29.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 120.0 6.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.6 t -38.77 137.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 107' ' ' VAL . 12.4 m -127.16 102.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.859 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.1 p -83.99 125.54 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 24' ' ' VAL . 12.6 m -131.6 126.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.01 125.74 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 32' ' ' ILE . 78.2 p -64.54 178.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.0 p -94.56 175.38 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.602 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 14.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 100' ' ' GLU . 2.0 pt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 p -83.71 154.86 23.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -60.97 137.26 93.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.68 150.14 68.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -81.46 158.64 68.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.0 Cg_endo -69.8 136.82 33.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.381 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.63 58.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 24' ' ' VAL . 21.2 t -83.48 155.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.105 HG21 HG11 ' A' ' 109' ' ' VAL . 88.3 t -111.59 110.33 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.74 -97.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -75.34 126.94 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.638 HG12 HG23 ' A' ' 112' ' ' THR . 88.5 t -114.58 98.22 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 4.6 p -104.42 152.03 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.626 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 26.9 p80 -73.94 3.9 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.9 p80 -124.23 -3.69 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.8 p -175.31 167.73 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 109' ' ' VAL . 96.7 mt -131.68 126.74 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HA ' HG22 ' A' ' 78' ' ' VAL . 38.3 tt0 -86.63 139.01 31.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -140.21 142.68 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -152.25 126.11 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 75' ' ' THR . 39.0 p90 -125.49 19.7 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.35 -28.02 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.675 ' H ' HD12 ' A' ' 38' ' ' LEU . 7.1 mp -40.2 -48.95 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 3.1 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.2 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 97' ' ' PRO . 3.4 mp -95.07 151.43 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -98.08 146.12 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -131.14 120.24 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -117.04 136.85 52.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.548 HG22 HD11 ' A' ' 69' ' ' ILE . 41.6 mm -114.58 128.03 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 47.1 mt-10 -111.27 172.93 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 pp20? -148.37 131.38 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.7 tt0 -84.05 151.22 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 21.9 m-20 -107.82 132.9 20.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.19 37.06 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 -28.26 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' SER . 6.5 mmt -106.55 -2.35 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER 38.12 26.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.0 t -121.12 154.26 36.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 67.5 m-85 -95.01 158.59 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.57 111.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 56' ' ' ILE . 19.2 pt -95.38 -33.09 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 87.8 t80 -139.47 144.39 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.08 114.93 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.44 -151.45 7.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -123.23 25.78 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.954 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 174.19 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 49.4 p -113.11 -31.83 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 30.2 ttp180 -93.64 154.39 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 74.7 t60 -161.85 117.25 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 33' ' ' GLU . 12.2 t -106.81 98.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 HD21 ' A' ' 82' ' ' LEU . 98.9 t -63.16 114.73 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -95.61 -175.97 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.0 52.93 39.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 31.4 mt -114.8 161.63 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -105.46 155.86 37.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 53.85 50.5 16.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.2 m -131.79 130.43 41.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.902 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.0 tm? -74.57 142.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.837 ' N ' HD13 ' A' ' 87' ' ' LEU . 50.1 m-85 -142.02 114.33 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HG3' HD11 ' A' ' 87' ' ' LEU . 14.2 mtmt -90.05 145.45 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.615 ' O ' HG22 ' A' ' 107' ' ' VAL . 59.3 m-85 -146.94 151.78 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.581 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -123.66 147.09 47.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.3 tp -109.44 111.23 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 26.2 tttt -102.89 144.04 31.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.3 m -139.02 138.31 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 101' ' ' TYR . 61.9 m -125.72 110.28 13.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -53.98 158.41 3.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.694 0.759 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 54.4 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.382 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -100.69 -33.32 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.65 -24.08 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 16' ' ' LEU . 81.6 mm-40 -69.53 154.67 41.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' HB3' HG23 ' A' ' 95' ' ' THR . 39.6 p90 -158.01 158.7 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -151.64 175.88 11.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 8.7 m-85 -125.7 150.48 47.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.451 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -94.24 165.44 17.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.1 Cg_endo -69.73 119.01 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -34.72 139.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 90' ' ' PHE . 3.0 m -124.56 102.71 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.902 ' HB2' HD21 ' A' ' 87' ' ' LEU . 8.7 p -85.23 125.51 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.105 HG11 HG21 ' A' ' 24' ' ' VAL . 15.6 m -134.56 129.36 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 122.56 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 32' ' ' ILE . 14.2 p -63.99 179.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.638 HG23 HG12 ' A' ' 27' ' ' VAL . 31.7 p -95.55 179.42 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -86.66 153.92 21.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.626 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -74.7 135.88 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 10.1 mtmt -53.82 140.82 49.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 156.91 62.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.43 157.24 47.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.8 Cg_endo -69.75 139.68 40.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.57 65.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.667 2.245 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.597 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.7 t -90.93 156.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.854 HG21 HG11 ' A' ' 109' ' ' VAL . 55.5 t -113.12 97.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.26 -82.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -85.94 127.12 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' A' ' 24' ' ' VAL . 60.1 t -116.69 108.07 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.603 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 24.6 p -112.21 151.85 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.608 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 25.6 p80 -73.71 3.57 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 1.6 p-80 -122.38 -7.22 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' THR . 52.6 p -170.66 177.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.635 HG13 HD12 ' A' ' 82' ' ' LEU . 95.4 mt -140.31 121.59 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.575 ' HA ' HG22 ' A' ' 78' ' ' VAL . 31.9 tt0 -81.53 136.12 35.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' VAL . 42.1 mt -138.83 144.77 39.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.4 p90 -151.37 121.73 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.3 p90 -116.85 20.4 13.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' OD1' HG21 ' A' ' 75' ' ' THR . 29.3 t70 -53.09 -19.83 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -48.42 -59.64 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.4 m0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 11.5 mt -96.11 142.4 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -85.53 132.35 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.88 113.76 21.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -117.18 115.13 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mm -93.69 146.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 49.1 mt-10 -132.72 172.14 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' OE1' ' CG2' ' A' ' 69' ' ' ILE . 6.0 pt-20 -144.79 139.61 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.516 ' OE2' ' CZ ' ' A' ' 66' ' ' TYR . 39.9 tt0 -93.65 155.54 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.42 129.57 23.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -19.67 35.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -104.4 -37.87 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.1 mtt -93.23 -6.96 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 m80 42.95 28.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -120.43 159.48 25.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.516 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 65.1 m-85 -102.27 152.88 20.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.09 141.98 9.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.33 113.83 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 20.6 pt -92.77 -31.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 80.7 t80 -142.65 145.25 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -150.38 116.9 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 -149.64 7.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -123.31 22.64 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.923 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.78 -179.36 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 79.1 p -117.68 -41.08 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 21.8 ttm105 -86.47 159.6 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.1 t60 -166.98 109.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.6 t -96.43 101.44 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.5 ' CG1' HD21 ' A' ' 82' ' ' LEU . 54.7 t -62.88 103.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.67 172.32 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 61.1 64.21 4.25 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.769 HD22 ' CE2' ' A' ' 88' ' ' TYR . 30.9 mt -125.63 163.39 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.89 150.23 37.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.07 31.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 5.2 mmm180 62.19 40.36 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.663 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.9 m -124.69 144.7 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.5 tp -93.84 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.769 ' CE2' HD22 ' A' ' 82' ' ' LEU . 68.2 m-85 -141.5 138.51 32.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 53.4 mttt -107.86 138.52 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 42.8 m-85 -144.14 135.2 25.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.413 ' NH2' ' CB ' ' A' ' 66' ' ' TYR . 17.3 ptt180 -116.18 135.96 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 20' ' ' HIS . 27.2 tp -94.19 129.79 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -118.68 153.81 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.48 146.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.455 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.2 m -136.92 111.08 8.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 p -54.48 156.07 6.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.37 -28.33 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.79 -33.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -55.51 149.28 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.455 ' HB3' HG23 ' A' ' 95' ' ' THR . 44.9 p90 -157.99 149.73 21.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 10.7 mm-40 -139.49 -175.69 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -136.13 147.56 47.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.38 159.25 31.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.34 6.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 3.1 p -42.39 140.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' VAL . 10.8 m -124.35 102.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' HD21 ' A' ' 87' ' ' LEU . 93.3 p -82.01 131.1 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.854 HG11 HG21 ' A' ' 24' ' ' VAL . 30.6 m -139.79 144.03 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.6 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.477 HG22 ' CG1' ' A' ' 32' ' ' ILE . 22.7 p -67.89 179.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 27' ' ' VAL . 81.8 p -91.67 178.97 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -88.12 139.95 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.608 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 10.7 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' N ' ' A' ' 102' ' ' GLU . 1.2 pt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -66.3 152.54 44.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -77.67 134.54 65.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.8 157.44 60.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.543 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -93.25 158.24 37.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.91 41.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.33 62.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.1 t -89.6 149.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.905 HG21 HG11 ' A' ' 109' ' ' VAL . 88.2 t -108.22 95.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.85 -82.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -84.03 136.31 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.04 103.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 68.1 p -110.39 171.27 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 114' ' ' GLU . 14.5 p80 -88.9 7.65 33.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 8.6 p80 -120.5 -29.57 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.6 m -153.52 173.46 15.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.62 HD13 HG23 ' A' ' 109' ' ' VAL . 73.9 mt -132.73 126.81 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HA ' HG22 ' A' ' 78' ' ' VAL . 30.8 tt0 -83.29 139.7 32.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -144.79 142.0 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.1 p90 -151.66 122.03 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 75' ' ' THR . 33.9 p90 -111.3 10.25 21.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' TRP . 8.0 mt -42.5 -55.39 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 12.9 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.0 m0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.78 158.72 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -108.3 146.21 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.9 m-85 -131.12 111.24 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 m -112.95 112.02 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.52 142.08 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 32.1 mt-10 -130.68 167.6 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -138.96 140.36 38.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 33.2 tt0 -83.73 160.26 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.4 t0 -113.48 123.6 32.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 60' ' ' ASP . 54.0 Cg_endo -69.75 -20.13 35.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 60' ' ' ASP . 5.3 ptmm? -111.89 -44.29 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 15.5 mmt -80.65 -18.19 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m80 53.27 36.43 22.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -132.63 155.2 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 60.9 m-85 -95.85 151.38 19.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.46 134.72 5.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -68.31 97.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 70' ' ' TYR . 44.6 pt -75.06 -36.52 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.491 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.2 t80 -142.79 144.38 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -151.69 114.55 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.8 -149.29 6.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.96 26.77 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.74 -174.97 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 28.4 p -120.81 -40.54 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 29.4 ttp180 -91.2 158.54 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.7 t60 -165.55 108.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 33' ' ' GLU . 55.7 t -97.62 100.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.1 t -60.81 109.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.76 174.59 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.71 57.31 20.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 88' ' ' TYR . 81.9 mt -120.43 158.35 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -105.94 157.95 33.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.7 54.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 52.55 45.88 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 88' ' ' TYR . 79.6 m -126.52 133.71 51.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.2 tm? -84.75 142.08 30.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.859 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.6 m-85 -142.51 114.45 8.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HG3' HD11 ' A' ' 87' ' ' LEU . 61.2 mttt -90.0 135.25 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 107' ' ' VAL . 29.7 m-85 -133.56 137.23 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 13.2 ptm180 -117.8 129.46 55.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.6 tp -91.55 128.61 37.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -118.41 144.47 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 54' ' ' PHE . 3.4 m -135.19 147.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.7 m -139.29 114.44 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 159.64 7.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 1.5 4.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 t -103.75 -35.6 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.75 -34.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.33 149.84 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.438 ' N ' HD22 ' A' ' 16' ' ' LEU . 41.6 p90 -158.17 140.75 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.455 ' N ' HD21 ' A' ' 16' ' ' LEU . 9.7 mm-40 -126.74 -175.05 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -137.62 144.48 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -93.64 161.28 30.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.75 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.4 t -40.87 138.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 90' ' ' PHE . 16.5 m -123.84 102.41 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.871 ' HB2' HD21 ' A' ' 87' ' ' LEU . 26.3 p -85.64 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 24' ' ' VAL . 15.9 m -138.33 131.56 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.31 124.46 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.2 p -62.64 179.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.2 p -96.37 -177.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 162.55 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 102' ' ' GLU . 3.9 pp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 p -79.17 128.81 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -44.11 138.81 3.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -84.59 157.23 61.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HB2' HG11 ' A' ' 107' ' ' VAL . 54.1 Cg_endo -69.77 140.0 41.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.42 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 141.03 44.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' OH ' ' A' ' 35' ' ' TYR . 42.2 t -83.64 153.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 109' ' ' VAL . 75.8 t -114.5 97.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.85 -83.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -85.04 130.38 34.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 112' ' ' THR . 8.1 p -118.86 106.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 21.6 p -107.47 160.47 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -81.03 5.41 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.3 p80 -124.74 -16.18 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.2 p -161.31 171.62 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' A' ' 82' ' ' LEU . 30.1 mt -132.6 126.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.7 tt0 -80.07 140.98 36.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 22' ' ' PRO . 49.5 mt -142.01 140.01 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.707 ' OH ' HG11 ' A' ' 23' ' ' VAL . 38.8 p90 -152.22 120.53 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.501 ' CH2' HG13 ' A' ' 56' ' ' ILE . 44.7 p90 -124.9 39.5 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -80.36 18.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.99 -41.49 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.5 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.72 145.0 27.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -86.06 151.13 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.05 118.18 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 m -120.65 114.6 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.501 HG13 ' CH2' ' A' ' 36' ' ' TRP . 25.1 mm -97.63 143.65 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 68' ' ' VAL . 5.2 mp0 -133.21 171.82 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.4 pt-20 -145.07 143.42 30.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 51.5 tt0 -92.34 156.82 16.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' HIS . 23.2 m-20 -113.12 127.46 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.02 37.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.0 -36.06 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 30.1 mmt -96.56 -3.08 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' ASP . 14.4 m-70 39.4 26.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.4 m -121.92 164.64 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 76.2 m-85 -105.77 170.19 8.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 131.68 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 76.2 t -60.67 104.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 41.0 pt -85.1 -30.91 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.538 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 54.3 t80 -143.15 143.14 31.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -152.51 129.51 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.39 -150.11 13.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.18 23.05 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.964 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.82 166.49 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 75.0 p -109.89 -24.01 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.491 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 34.1 ttm-85 -99.07 159.55 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 78.5 t60 -165.78 159.69 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' GLU . 64.3 t -147.43 117.65 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.53 ' CG1' HD21 ' A' ' 82' ' ' LEU . 72.9 t -81.66 107.94 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.37 178.62 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 52.51 72.72 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.825 HD22 ' CE2' ' A' ' 88' ' ' TYR . 67.9 mt -130.31 169.33 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.35 149.72 39.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.697 0.761 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.447 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.8 138.98 38.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 58.65 38.84 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.6 m -123.0 144.35 49.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.7 tp -93.89 146.97 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.825 ' CE2' HD22 ' A' ' 82' ' ' LEU . 47.4 m-85 -139.26 138.26 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -108.78 136.13 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 36.7 m-85 -139.9 144.21 37.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLU . 5.7 ptm180 -122.62 130.88 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 56' ' ' ILE . 12.5 tp -96.88 131.33 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 103' ' ' TYR . 2.3 tttm -118.03 144.53 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 1.5 m -133.76 138.77 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -121.86 108.09 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 4.4 p -52.96 155.46 4.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 4.39 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 m -103.9 -28.16 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.64 -21.88 3.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.51 160.53 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 14.3 p90 -155.84 170.08 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.565 ' HB2' HD11 ' A' ' 16' ' ' LEU . 43.3 mm-40 -159.5 169.3 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.601 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 4.4 m-85 -119.63 151.2 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.2 p -92.83 160.44 34.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' VAL . 53.4 Cg_endo -69.73 120.52 7.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' PRO . 86.2 t -36.29 130.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 21' ' ' PRO . 10.5 m -120.56 102.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.583 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.4 p -86.54 128.96 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 24' ' ' VAL . 16.7 m -137.66 139.98 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.26 130.46 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 p -66.54 -174.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 27' ' ' VAL . 72.3 p -98.98 170.55 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -76.76 150.4 36.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 84' ' ' PRO . 76.3 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.15 159.04 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -59.77 136.31 89.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.77 147.59 63.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.441 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -79.4 157.06 75.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.42 45.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.89 68.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.322 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.751 HG11 ' OH ' ' A' ' 35' ' ' TYR . 59.3 t -91.46 153.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.842 HG21 HG11 ' A' ' 109' ' ' VAL . 98.4 t -108.57 95.16 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.14 -85.89 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -82.71 134.53 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 112' ' ' THR . 90.3 t -122.43 111.27 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 75.6 p -118.64 157.59 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 25.9 p80 -80.85 6.81 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.5 p80 -124.54 -21.26 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -153.52 178.02 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 HG23 ' A' ' 109' ' ' VAL . 96.9 mt -142.35 121.72 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 78' ' ' VAL . 23.5 tt0 -81.87 140.75 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 mt -141.44 134.87 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.751 ' OH ' HG11 ' A' ' 23' ' ' VAL . 50.4 p90 -144.17 124.43 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.482 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.8 p90 -121.49 21.67 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -51.67 -22.87 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -43.01 -71.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.7 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.2 m0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 13.2 mt -90.9 156.14 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -98.25 147.56 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -137.95 112.03 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -106.41 136.05 46.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.87 119.18 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' VAL . 31.7 mt-10 -111.44 172.0 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -142.43 135.19 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.99 165.21 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.93 132.32 24.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -22.9 31.64 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -101.33 -45.53 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 21.1 mtt -79.8 -24.62 41.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 56.9 36.67 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -137.91 158.18 44.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 96.6 m-85 -95.11 157.25 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.53 125.68 2.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 57' ' ' GLU . 45.6 t -61.4 96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 38.6 pt -77.82 -29.71 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -143.04 143.58 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.73 114.11 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.43 -149.61 6.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -125.69 25.32 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.57 173.59 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 64.6 p -109.21 -37.72 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 7.9 ttm105 -88.47 154.14 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.5 t60 -165.09 120.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.2 t -107.49 103.78 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.483 ' CG1' HD21 ' A' ' 82' ' ' LEU . 73.8 t -62.01 107.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.89 163.81 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.87 67.08 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 69.2 mt -126.49 159.05 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -101.57 152.09 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.22 39.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 55.89 48.2 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.7 m -130.84 138.6 49.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.5 tm? -83.49 143.57 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.2 m-85 -142.43 113.63 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.7 mtmt -88.58 138.96 30.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 58.4 m-85 -140.9 131.39 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 5.6 ptm85 -109.34 128.43 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 20' ' ' HIS . 12.6 tp -91.49 130.49 37.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 9.8 tttt -115.31 155.01 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -146.78 139.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.613 HG23 ' HB3' ' A' ' 101' ' ' TYR . 20.1 m -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.9 m -60.55 159.15 26.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.753 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -106.49 -34.07 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.78 -34.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' HB2' HD23 ' A' ' 16' ' ' LEU . 33.6 mt-10 -51.46 145.95 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.613 ' HB3' HG23 ' A' ' 95' ' ' THR . 52.4 p90 -158.49 148.83 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -142.31 -176.65 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 31.7 m-85 -132.74 145.89 51.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.88 161.38 31.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.725 0.774 . . . . 0.0 110.808 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.82 117.5 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.6 p -40.27 129.49 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 90' ' ' PHE . 23.7 m -115.68 107.23 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.803 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.5 p -88.79 118.02 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.842 HG11 HG21 ' A' ' 24' ' ' VAL . 28.4 m -126.46 133.38 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.99 129.96 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.457 HG22 ' CG1' ' A' ' 32' ' ' ILE . 63.2 p -64.82 -174.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.92 HG23 HG12 ' A' ' 27' ' ' VAL . 54.1 p -101.91 173.07 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.65 146.39 38.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 11.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.0 pp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 16' ' ' LEU . 18.3 m -68.91 140.34 55.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 9.1 mtmt -54.31 136.81 60.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.65 147.17 62.95 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.412 ' O ' HD23 ' A' ' 92' ' ' LEU . 1.3 m-70 -80.22 157.99 72.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.79 142.73 48.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.74 141.46 45.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 21.8 t -84.06 151.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.901 HG21 HG11 ' A' ' 109' ' ' VAL . 87.7 t -111.46 103.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.83 -80.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.84 131.49 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -123.52 112.73 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.616 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 47.4 p -115.96 154.48 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 13.8 p-80 -74.4 4.45 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.616 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 3.0 p-80 -122.95 -19.1 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -160.27 167.3 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.43 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -129.44 131.75 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 78' ' ' VAL . 42.6 tt0 -89.44 135.73 33.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 22' ' ' PRO . 32.2 mt -141.12 136.2 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.0 p90 -144.15 127.28 16.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.492 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.5 p90 -124.07 41.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.57 19.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -92.97 -11.24 33.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 11.3 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.3 m0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.77 165.19 25.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -107.95 138.72 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -122.7 120.09 32.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -120.25 130.82 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.492 HD11 ' CH2' ' A' ' 36' ' ' TRP . 19.5 mm -108.16 132.65 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 20.5 mt-10 -121.16 153.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.1 pp20? -122.88 134.09 54.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 27.2 tt0 -83.28 153.67 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 20.7 m-20 -113.65 127.07 27.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.06 28.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -99.75 -31.56 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mmt -100.95 4.61 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.497 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.4 OUTLIER 30.67 37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 t -134.38 163.09 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 93.2 m-85 -101.15 167.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.77 126.97 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.3 t -59.15 101.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 31.2 pt -84.7 -33.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 69.1 t80 -139.38 145.1 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -152.05 112.18 4.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.84 -158.02 15.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.71 21.73 14.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.83 169.42 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.479 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 26.8 p -109.48 -21.18 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.3 ttp180 -104.61 157.02 17.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 44.5 t60 -163.91 112.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.6 t -100.83 98.98 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 72.5 t -59.27 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -89.14 166.51 13.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.02 68.88 1.49 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 76.7 mt -129.12 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -103.6 153.88 38.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.22 42.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 56.9 46.21 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -128.81 134.21 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 108' ' ' SER . 1.5 tm? -82.22 142.83 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.72 ' N ' HD13 ' A' ' 87' ' ' LEU . 51.7 m-85 -140.74 114.67 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 62.3 mttt -88.31 138.34 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 51.6 m-85 -138.11 141.76 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.488 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 14.4 ptm180 -123.56 130.88 53.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 93' ' ' LYS . 16.8 tp -92.4 128.69 38.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.416 ' N ' HD12 ' A' ' 92' ' ' LEU . 27.8 tttt -118.15 151.73 37.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.66 141.2 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 m -128.62 109.11 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -51.63 155.5 2.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.32 2.86 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -107.15 -29.01 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.52 -30.4 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.15 152.95 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -158.06 143.43 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.7 mm-40 -130.69 179.97 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -134.41 141.75 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -92.61 159.22 36.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.73 5.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 4.7 p -40.46 142.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.8 m -124.47 102.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.81 ' HB2' HD21 ' A' ' 87' ' ' LEU . 2.5 p -84.25 117.49 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.901 HG11 HG21 ' A' ' 24' ' ' VAL . 28.3 m -130.78 129.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.07 132.85 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -68.51 -175.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.9 p -97.18 -174.82 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -99.36 132.09 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.595 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -73.67 155.92 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -75.52 132.14 76.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.68 137.87 36.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CD2' ' CD ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -72.68 162.89 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.0 Cg_endo -69.79 140.59 42.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.586 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.77 140.41 42.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' OH ' ' A' ' 35' ' ' TYR . 38.2 t -88.32 160.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.987 HG21 HG11 ' A' ' 109' ' ' VAL . 29.6 t -116.4 108.54 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.81 -88.05 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 85.1 tttt -79.9 139.05 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.67 113.84 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.457 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 60.7 p -123.9 153.06 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 22.4 p80 -74.75 5.55 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 17.2 p80 -122.63 -8.29 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 82' ' ' LEU . 58.8 p -173.32 169.58 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.739 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -132.44 127.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 24' ' ' VAL . 22.4 tt0 -80.46 139.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 90' ' ' PHE . 20.3 mt -143.56 128.87 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' OH ' HG11 ' A' ' 23' ' ' VAL . 32.2 p90 -136.21 130.43 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.497 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.6 p90 -124.48 34.22 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.32 -2.52 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.61 -24.07 64.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.608 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 6.2 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 m0 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp -92.23 158.25 16.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -100.13 145.46 27.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.4 m-85 -130.85 118.61 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -117.04 113.53 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mm -94.99 127.53 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 68' ' ' VAL . 17.6 mt-10 -117.37 168.21 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.12 134.06 43.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -90.3 153.42 20.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' HIS . 8.4 m-20 -116.42 128.5 25.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.24 36.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -103.31 -37.86 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mmt -93.42 -10.16 36.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.5 m-70 45.71 26.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -119.32 161.6 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -101.78 153.02 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.22 123.5 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.461 HG22 ' CG ' ' A' ' 57' ' ' GLU . 76.1 t -64.62 99.92 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 pt -81.35 -32.04 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.443 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 70.5 t80 -142.6 144.21 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 t -150.77 113.14 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.36 -148.88 6.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -122.97 21.62 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.23 179.69 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 70.9 p -118.28 -36.06 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.5 ttp180 -96.34 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 59.6 t60 -164.28 109.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.4 t -96.38 101.02 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.1 t -58.77 107.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -88.57 167.51 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.51 61.13 6.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.8 mt -120.23 163.12 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -103.8 151.53 38.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.54 40.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 57.34 41.98 25.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 88' ' ' TYR . 17.9 m -125.34 144.25 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -93.5 147.49 22.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 86' ' ' THR . 61.6 m-85 -142.35 139.7 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 27.7 mttm -106.22 132.0 52.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 107' ' ' VAL . 46.9 m-85 -139.93 131.97 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.567 HH12 ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -111.64 173.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 54' ' ' PHE . 12.6 tp -133.21 108.11 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 55.4 tttt -101.35 140.33 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 54' ' ' PHE . 1.8 m -129.5 148.44 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.0 m -135.53 104.97 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.2 m -45.94 153.15 0.68 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.23 2.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -105.17 -27.65 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.53 -27.12 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' SER . 68.7 mm-40 -67.39 156.77 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -158.17 162.3 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.5 mm-40 -145.92 -175.58 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 9.8 m-85 -139.81 140.42 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.567 ' N ' HH12 ' A' ' 91' ' ' ARG . 1.7 p -92.79 157.88 38.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 11.6 p -38.29 146.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 90' ' ' PHE . 4.0 m -132.72 102.82 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 87' ' ' LEU . 94.9 p -78.48 138.51 38.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.987 HG11 HG21 ' A' ' 24' ' ' VAL . 28.6 m -145.14 141.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.48 128.43 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.595 HG22 ' CG1' ' A' ' 32' ' ' ILE . 42.7 p -68.54 -175.3 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.6 p -97.84 -176.18 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -90.25 150.2 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 6.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -77.4 166.26 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -81.85 134.31 50.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.81 159.07 54.72 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -94.9 162.98 23.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.841 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.78 142.26 47.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG11 ' OH ' ' A' ' 35' ' ' TYR . 12.6 t -85.25 151.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.847 HG21 HG11 ' A' ' 109' ' ' VAL . 58.4 t -115.98 103.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.99 -77.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.79 130.87 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.91 112.68 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.619 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 49.0 p -114.51 151.73 32.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 21.2 p80 -73.74 2.18 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 5.1 p-80 -121.7 -12.04 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.496 ' HA ' HD12 ' A' ' 82' ' ' LEU . 99.4 p -166.48 169.09 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 109' ' ' VAL . 65.3 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -81.72 130.28 35.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 22' ' ' PRO . 19.6 mt -134.76 141.85 46.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 23.0 p90 -150.25 125.42 10.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.487 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.3 p90 -118.27 33.17 5.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 38' ' ' LEU . 3.2 p-10 -74.6 44.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD22 ' C ' ' A' ' 37' ' ' ASP . 2.6 mm? -114.3 -29.41 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 54' ' ' PHE . 14.7 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.3 m0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 27.2 mt -75.32 143.77 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.9 ttm180 -80.31 151.51 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 19.4 m-85 -138.27 112.35 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -119.02 130.25 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 69' ' ' ILE . 48.2 mm -103.98 149.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 91' ' ' ARG . 1.7 mp0 -139.58 171.85 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 12.1 pt-20 -149.15 139.51 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 41.8 tt0 -87.38 152.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.77 131.13 21.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -102.12 -41.0 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.6 mmt -89.41 -8.1 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 41.6 37.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -135.86 158.61 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 74.4 m-85 -97.97 150.15 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 124.79 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.49 105.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 56' ' ' ILE . 47.5 pt -83.65 -33.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.4 ' N ' HG13 ' A' ' 69' ' ' ILE . 83.7 t80 -142.61 150.07 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -150.3 121.48 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.11 -160.72 33.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -104.35 -16.13 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.82 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.487 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -111.01 -28.95 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 78' ' ' VAL . 35.9 ttt-85 -99.97 156.71 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -164.37 113.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.549 HG21 ' NH2' ' A' ' 76' ' ' ARG . 53.7 t -100.79 96.69 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 82' ' ' LEU . 78.0 t -56.69 107.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -86.91 169.37 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.17 61.01 7.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.3 mt -120.54 161.01 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -104.46 158.73 31.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.94 52.45 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.518 ' NE ' ' CG ' ' A' ' 113' ' ' ARG . 10.0 mmt180 45.08 44.66 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 m -119.9 132.22 55.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.3 tm? -80.49 138.2 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.4 m-85 -139.36 112.77 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' A' ' 87' ' ' LEU . 5.6 mtmp? -88.33 137.77 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.725 ' O ' HG22 ' A' ' 107' ' ' VAL . 34.7 m-85 -136.89 138.88 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' CG ' ' OE1' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -117.0 128.24 54.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.0 128.19 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -116.24 146.22 42.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.78 146.05 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -133.43 118.82 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -60.07 161.21 13.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 52' ' ' LEU . 53.4 Cg_endo -69.8 -0.01 6.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -103.2 -36.37 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.6 -31.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -55.44 152.65 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -156.07 140.89 17.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 5.9 mm-40 -125.88 -175.7 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.29 146.71 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -93.09 160.04 34.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.34 9.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 89' ' ' LYS . 89.3 t -39.04 137.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 90' ' ' PHE . 30.0 m -125.58 103.54 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.83 ' CB ' HD21 ' A' ' 87' ' ' LEU . 10.4 p -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 24' ' ' VAL . 20.3 m -124.43 128.49 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.13 126.89 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.2 p -66.35 -174.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -100.94 -178.24 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.518 ' CG ' ' NE ' ' A' ' 85' ' ' ARG . 17.5 mtm105 -77.18 162.45 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 22.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -77.44 129.99 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -44.75 140.37 3.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.07 13.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.65 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -105.3 157.56 34.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.5 Cg_endo -69.81 138.75 38.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 140.77 43.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 15.2 t -84.27 154.71 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 109' ' ' VAL . 93.5 t -111.24 95.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.23 -86.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -82.57 134.57 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.829 HG22 HG23 ' A' ' 112' ' ' THR . 10.1 p -121.71 104.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.61 164.35 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 112' ' ' THR . 18.3 p80 -85.97 8.06 21.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -126.35 -12.62 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -166.38 172.69 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.606 HD13 HG23 ' A' ' 109' ' ' VAL . 63.6 mt -133.49 126.71 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HA ' HG22 ' A' ' 78' ' ' VAL . 29.4 tt0 -83.46 137.71 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 mt -140.82 139.47 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.4 p90 -148.25 123.79 10.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.5 p90 -121.4 38.64 4.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.16 24.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 38' ' ' LEU . 5.6 mp -96.3 -28.27 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.514 ' OE2' HD21 ' A' ' 92' ' ' LEU . 13.4 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.6 m0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.24 164.23 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -104.44 151.95 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -134.26 115.02 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -116.41 114.05 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.466 HD11 ' CH2' ' A' ' 36' ' ' TRP . 14.7 mm -95.98 132.77 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 8.7 mt-10 -126.8 167.96 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.1 tt0 -146.35 150.07 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -87.04 148.6 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.486 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 1.1 m-20 -103.75 129.41 25.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -29.96 23.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HD2' ' CG ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.67 -36.54 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.486 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 35.7 mtt -90.3 -7.53 53.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.9 m80 42.94 31.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.7 t -134.32 161.53 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 42.0 m-85 -94.75 157.55 15.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.1 144.11 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -74.28 102.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.2 pt -80.81 -36.85 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 75.0 t80 -138.53 144.06 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 t -151.94 118.27 5.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.33 -148.11 6.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -122.55 24.6 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.38 179.64 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.534 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 30.2 p -119.5 -34.88 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 31.9 ttm180 -89.36 151.35 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.6 t60 -162.48 108.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.8 t -96.84 99.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 53.5 t -58.61 101.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.82 169.13 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.589 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 58.14 75.79 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 88' ' ' TYR . 47.8 mt -133.67 158.54 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -98.92 150.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.78 146.58 60.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 4.7 mmm180 52.73 36.48 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.1 m -120.62 143.61 48.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.3 tp -93.03 148.72 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 82' ' ' LEU . 55.3 m-85 -142.03 131.77 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -104.02 133.03 49.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 65.7 m-85 -133.14 136.91 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 13.3 ptm180 -115.04 126.89 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 20' ' ' HIS . 19.9 tp -91.02 127.52 36.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -117.92 146.25 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.64 147.55 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 m -138.35 113.18 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -53.44 159.55 2.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.13 6.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.2 m -104.51 -37.03 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.52 -32.05 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.92 151.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -156.63 155.4 31.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -144.61 -175.59 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -137.26 147.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 p -95.42 160.73 29.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 120.99 7.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -41.47 134.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.3 m -122.18 102.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 87' ' ' LEU . 37.1 p -83.54 131.37 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.992 HG11 HG21 ' A' ' 24' ' ' VAL . 28.7 m -137.57 142.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.34 126.68 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.462 HG22 ' CG1' ' A' ' 32' ' ' ILE . 80.9 p -62.37 -178.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.829 HG23 HG22 ' A' ' 27' ' ' VAL . 43.1 p -95.09 165.6 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.38 150.4 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 36.1 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' SER . 4.3 pp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' HD12 ' A' ' 16' ' ' LEU . 75.0 m -62.29 152.88 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -63.42 135.82 96.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.71 138.69 38.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.68 158.06 88.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.72 141.48 45.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.73 2.286 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.83 142.99 49.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.211 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 t -89.1 152.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.883 HG21 HG11 ' A' ' 109' ' ' VAL . 21.8 t -105.96 110.09 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.38 -87.76 0.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -76.67 126.21 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 112' ' ' THR . 59.8 t -113.83 107.77 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -117.07 150.53 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' THR . 25.0 p80 -74.77 6.83 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -134.46 5.67 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -175.06 171.17 3.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.6 HD13 HG23 ' A' ' 109' ' ' VAL . 82.6 mt -144.9 117.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 38.3 tt0 -86.06 143.81 27.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 24' ' ' VAL . 10.2 mt -139.38 151.12 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 52.8 p90 -152.44 115.56 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 41.4 p90 -112.39 38.95 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' HD22 ' A' ' 38' ' ' LEU . 7.6 p-10 -81.91 27.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.702 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.3 mm? -106.0 -7.3 18.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.0 m0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.3 mt -93.1 149.43 21.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -86.9 145.0 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -132.66 112.94 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -115.17 117.99 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 69' ' ' ILE . 46.0 mm -97.59 141.18 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 15.5 mt-10 -133.34 153.57 51.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.1 pt-20 -126.93 133.33 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 54.7 tt0 -82.28 159.77 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 2.8 t0 -113.74 124.96 30.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.78 37.4 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.734 2.289 . . . . 0.0 112.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -112.96 -42.22 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mtt -85.7 -7.32 58.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 42.61 38.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -134.21 157.81 45.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -98.35 174.21 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.419 ' C ' ' HG2' ' A' ' 57' ' ' GLU . . . -167.17 125.26 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.0 t -62.61 90.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 58' ' ' GLU . 40.2 pt -68.35 -34.56 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 79.9 t80 -143.01 144.13 32.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -151.23 119.13 6.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.34 -150.15 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -118.82 24.86 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.78 165.79 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 77.4 p -112.85 -21.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.97 141.17 36.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 57.0 t60 -158.77 126.17 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 32' ' ' ILE . 2.1 p -118.55 102.38 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 95.5 t -52.24 108.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.49 161.72 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.37 72.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.674 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.0 mt -125.98 155.37 41.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -92.48 152.44 42.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.754 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.479 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.85 157.16 61.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 40.48 31.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 88' ' ' TYR . 56.6 m -113.96 139.72 48.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.0 tp -90.31 147.34 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 75.6 m-85 -142.61 126.59 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -99.24 133.09 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 46.6 m-85 -135.71 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 93' ' ' LYS . 12.5 ptt85 -113.9 140.02 48.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.2 tp -104.97 121.52 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 46.7 tttt -111.35 148.01 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -138.22 142.1 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.2 m -133.51 116.63 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -58.54 159.17 12.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.22 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -105.39 -36.2 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.34 -33.95 0.84 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -54.62 151.22 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -157.54 148.72 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 16' ' ' LEU . 3.5 mm-40 -137.34 -176.53 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -136.71 148.47 47.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -94.75 159.39 33.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 119.86 6.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.2 t -37.93 136.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 107' ' ' VAL . 18.6 m -125.29 102.26 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.604 ' HB2' HD21 ' A' ' 87' ' ' LEU . 88.8 p -86.22 127.86 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 24' ' ' VAL . 18.2 m -133.97 138.76 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.03 126.67 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 32' ' ' ILE . 20.7 p -63.88 178.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HG12 ' A' ' 27' ' ' VAL . 72.4 p -92.03 165.35 13.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -72.25 140.14 48.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 84' ' ' PRO . 72.6 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.779 0.323 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -74.18 164.42 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -77.12 138.27 64.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.1 Cg_endo -69.71 153.56 69.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.63 157.81 46.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.557 0.694 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.5 Cg_endo -69.8 138.17 37.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.3 t -94.55 156.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 109' ' ' VAL . 41.0 t -107.41 107.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.18 -78.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.46 126.18 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 HG23 ' A' ' 112' ' ' THR . 48.0 t -112.69 102.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -112.74 151.81 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' A' ' 112' ' ' THR . 11.2 p80 -78.0 9.53 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -134.47 0.15 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 t -171.92 163.2 6.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 109' ' ' VAL . 82.5 mt -134.51 113.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 25.5 tt0 -82.51 143.48 31.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 77' ' ' HIS . 11.2 mt -140.75 154.04 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 49.8 p90 -152.89 120.21 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.469 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.5 p90 -121.27 35.77 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.793 ' OD1' HG21 ' A' ' 75' ' ' THR . 6.0 t70 -79.2 13.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.8 -33.2 17.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.57 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 35.6 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 47.8 mt -98.33 150.41 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -99.28 152.82 19.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 92' ' ' LEU . 40.5 m-85 -136.94 120.42 17.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -120.5 117.22 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -98.73 139.28 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 24.2 mt-10 -132.71 146.21 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 69' ' ' ILE . 1.7 pp20? -122.36 138.57 54.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -87.6 151.01 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 7.7 m-20 -117.1 134.39 23.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.18 28.95 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -91.84 -31.97 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' HIS . 1.9 mtt -103.42 -1.09 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER 34.7 37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -140.39 160.83 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -96.37 157.99 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.35 128.78 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 94.7 t -60.07 86.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 70' ' ' TYR . 47.4 pt -67.9 -34.11 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.1 t80 -142.71 143.55 32.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 124.34 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.32 -148.18 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -120.87 23.82 10.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.29 173.34 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.793 HG21 ' OD1' ' A' ' 37' ' ' ASP . 67.8 p -120.28 -30.6 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -94.44 136.36 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 47.7 t60 -153.7 134.11 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.2 p -128.45 103.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.742 HG21 ' CE1' ' A' ' 90' ' ' PHE . 97.0 t -56.81 110.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.74 167.32 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.516 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 60.54 74.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 55.6 mt -131.34 165.29 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -104.59 156.46 35.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.426 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 54.2 Cg_endo -69.71 139.66 40.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.4 48.63 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -127.39 129.65 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.865 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.1 tm? -78.1 140.3 39.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.826 ' N ' HD13 ' A' ' 87' ' ' LEU . 61.3 m-85 -139.73 113.04 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HG3' HD11 ' A' ' 87' ' ' LEU . 46.8 mttt -87.6 139.83 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 79' ' ' VAL . 61.1 m-85 -140.3 136.19 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 10.8 ptm180 -113.16 129.79 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.7 tp -91.58 118.09 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -105.84 149.43 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.566 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -144.54 144.93 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.3 m -135.63 115.72 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.6 m -57.39 157.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.721 0.772 . . . . 0.0 110.806 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 t -104.92 -31.04 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.6 -33.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -59.4 155.88 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.2 p90 -157.23 153.08 26.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 15.3 mm-40 -137.82 -175.78 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 39.9 m-85 -141.07 145.24 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -93.02 162.69 27.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.7 119.69 6.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -38.5 136.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.4 m -122.61 102.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.865 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.4 p -86.28 124.4 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 24' ' ' VAL . 9.0 m -131.18 130.07 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.92 121.63 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.445 HG22 ' CG1' ' A' ' 32' ' ' ILE . 37.2 p -56.44 179.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.705 HG23 HG12 ' A' ' 27' ' ' VAL . 25.2 p -94.78 168.25 10.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -76.75 143.26 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 24.0 mp0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -86.34 161.79 18.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -65.09 136.6 96.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.3 Cg_endo -69.7 149.08 66.77 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.378 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -79.03 157.17 76.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.0 Cg_endo -69.78 140.62 43.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.79 140.52 42.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.658 HG11 ' OH ' ' A' ' 35' ' ' TYR . 16.5 t -81.91 151.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 71.6 t -115.41 97.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.63 -79.67 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.86 136.97 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 24' ' ' VAL . 49.8 t -127.15 101.4 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.572 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 11.7 p -102.31 153.86 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.6 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 8.7 p80 -74.37 4.13 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 4.1 p-80 -123.33 -17.03 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -157.69 176.49 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.725 HD13 HG23 ' A' ' 109' ' ' VAL . 87.6 mt -138.5 125.73 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.631 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.9 tt0 -80.3 142.61 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 22' ' ' PRO . 30.6 mt -144.86 138.41 26.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.658 ' OH ' HG11 ' A' ' 23' ' ' VAL . 27.4 p90 -152.4 121.9 6.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 46.0 p90 -122.64 30.21 6.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' HG21 ' A' ' 75' ' ' THR . 36.1 t0 -76.81 43.14 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.19 -33.39 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.61 148.72 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -95.12 140.11 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.79 113.04 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.97 133.73 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.545 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 17.0 mm -105.23 140.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 1.5 mp0 -128.24 171.69 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -145.32 152.16 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 18.9 tt0 -97.43 146.58 25.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 8.4 m-20 -102.55 125.15 36.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -29.95 23.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.86 -36.77 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.465 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 52.2 mtp -87.23 -24.09 24.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASP . 20.3 m-70 60.81 26.0 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 176.75 7.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 36.9 m-85 -117.87 167.54 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.94 120.83 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.67 105.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 pt -81.45 -31.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 86.2 t80 -138.29 141.11 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -147.36 118.24 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.63 -152.16 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -123.26 24.59 8.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.06 179.37 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 18.3 p -119.81 -19.14 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.8 ttm180 -103.57 162.77 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 83.6 t60 -170.45 149.12 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 33' ' ' GLU . 74.5 t -140.29 114.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 93.7 t -75.11 111.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -92.45 164.96 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.8 66.4 2.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 56.5 mt -124.68 163.69 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -103.31 155.29 36.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.7 134.72 28.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 57.06 51.12 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.5 m -130.89 134.5 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.807 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.2 tm? -81.08 138.59 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.663 ' H ' HD22 ' A' ' 87' ' ' LEU . 52.4 m-85 -136.8 112.39 9.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.0 mttt -87.09 137.62 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 107' ' ' VAL . 64.9 m-85 -139.39 138.82 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 4.9 ptm85 -117.2 129.11 55.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 93' ' ' LYS . 10.3 tp -91.34 131.96 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.552 ' N ' HD12 ' A' ' 92' ' ' LEU . 30.7 tttt -117.04 147.59 42.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -139.88 143.32 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 101' ' ' TYR . 38.4 m -132.33 107.84 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 100' ' ' GLU . 3.6 p -46.91 154.81 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.35 2.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -108.51 -31.48 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.27 -32.31 1.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' SER . 26.8 mm-40 -58.26 152.04 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.5 p90 -158.01 144.15 17.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mm-40 -132.46 -174.7 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -135.12 145.09 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.442 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.3 p -93.94 159.86 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.752 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.88 7.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.1 t -39.52 138.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.5 m -122.49 102.96 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.807 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.0 p -85.41 119.76 26.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 27.9 m -128.66 132.2 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.27 124.48 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 p -61.77 -174.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 47.6 p -104.74 -179.34 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -73.57 155.08 39.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.6 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 12.7 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.798 0.333 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -58.08 137.62 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -59.34 136.93 88.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.71 150.39 68.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.382 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.51 161.96 43.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.16 41.97 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.569 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.4 Cg_endo -69.75 140.94 43.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.612 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.2 t -87.17 159.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 HG11 ' A' ' 109' ' ' VAL . 89.9 t -120.42 97.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.1 -78.83 0.52 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -88.62 134.26 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 27' ' ' VAL . 6.4 p -122.89 98.1 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -95.45 154.14 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 30.0 p80 -75.17 5.39 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -125.3 -12.25 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.703 ' HA ' HD12 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -165.08 172.01 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 109' ' ' VAL . 75.4 mt -130.3 127.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 78' ' ' VAL . 20.4 tt0 -82.92 135.61 34.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' HB2' ' A' ' 22' ' ' PRO . 21.2 mt -138.44 142.49 39.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.612 ' OH ' HG11 ' A' ' 23' ' ' VAL . 25.3 p90 -152.06 123.14 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' LEU . 36.5 p90 -111.31 17.96 19.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -38.99 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.724 ' H ' HD22 ' A' ' 38' ' ' LEU . 3.0 mm? -45.81 -47.58 15.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 3.0 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.4 m0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 96' ' ' SER . 10.1 mt -90.81 152.09 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -95.87 149.51 21.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -137.65 118.14 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 p -112.08 139.82 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -121.99 113.03 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 24.4 mt-10 -106.29 162.78 13.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 69' ' ' ILE . 7.2 pt-20 -129.3 140.24 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -85.97 156.67 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 13.7 m-20 -118.77 130.12 25.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -21.56 32.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -105.65 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.443 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 20.8 mmt -81.64 -19.49 41.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 50.88 33.94 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -132.01 159.36 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 91' ' ' ARG . 90.3 m-85 -96.02 146.77 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.71 127.12 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 34.9 t -62.13 96.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 58' ' ' GLU . 20.8 pt -80.05 -29.24 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -142.72 145.39 33.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -151.9 111.15 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.57 -154.92 8.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.87 25.09 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.56 -174.78 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.7 p -118.85 -37.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 19.6 ttp-105 -93.16 156.84 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 53.5 t60 -165.58 108.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 33' ' ' GLU . 50.9 t -95.23 96.23 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 82' ' ' LEU . 56.0 t -53.97 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.63 163.07 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 66.65 74.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' SER . 89.7 mt -137.48 172.68 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -116.65 152.93 48.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 146.37 60.05 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 55.1 28.85 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.639 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.4 m -113.68 137.76 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.4 tp -89.93 146.89 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CE1' HG22 ' A' ' 86' ' ' THR . 54.9 m-85 -142.35 132.54 24.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 29.8 mttm -101.51 135.28 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.7 m-85 -137.72 141.94 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 66' ' ' TYR . 3.1 ptm85 -120.75 140.0 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 tp -102.78 130.88 49.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 15.4 tttt -118.12 156.07 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -146.55 138.21 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.3 m -131.76 118.74 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 2.6 m -64.54 159.25 61.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 3.26 2.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.6 m -106.98 -33.18 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.79 -32.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.68 153.25 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -157.46 156.55 32.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 mm-40 -144.36 173.92 11.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 28.4 m-85 -131.63 140.93 49.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.402 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.3 p -93.0 159.71 35.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.76 120.37 7.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -44.62 136.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.569 HG21 ' HG2' ' A' ' 22' ' ' PRO . 11.2 m -121.58 113.33 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.6 p -90.15 131.5 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.966 HG11 HG21 ' A' ' 24' ' ' VAL . 15.3 m -138.06 141.87 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.39 123.01 49.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.555 HG22 ' CG1' ' A' ' 32' ' ' ILE . 18.9 p -62.45 -173.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 40.1 p -104.45 157.88 16.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -64.28 143.3 57.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.526 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 13.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.4 p -53.9 129.26 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -53.92 136.9 56.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.5 Cg_endo -69.78 138.45 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.304 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.417 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -73.98 159.21 84.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.865 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.4 Cg_endo -69.79 142.34 47.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.75 146.15 59.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.526 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 5.8 t -89.64 154.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.94 HG21 HG11 ' A' ' 109' ' ' VAL . 65.1 t -115.0 96.63 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.5 -78.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -90.72 131.72 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG22 HG23 ' A' ' 112' ' ' THR . 3.0 p -123.04 119.28 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.64 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 10.6 p -121.59 158.25 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.1 p80 -75.76 1.13 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.64 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 5.0 p-80 -117.37 -26.51 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.786 ' HA ' HD12 ' A' ' 82' ' ' LEU . 39.5 p -155.08 170.92 20.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 109' ' ' VAL . 95.4 mt -132.75 130.66 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.13 141.59 30.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' HG22 ' A' ' 24' ' ' VAL . 56.7 mt -144.44 130.77 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 44.8 p90 -140.63 123.73 16.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.1 p90 -123.7 34.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.15 9.29 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.0 mt -72.72 -35.08 67.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.9 m0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.775 0.321 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 14.2 mt -86.96 146.99 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -100.34 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.58 116.66 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -119.25 125.18 48.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.66 144.62 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 36.8 mt-10 -137.31 146.99 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -124.62 138.88 54.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 64.0 tt0 -88.61 143.13 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 129.72 24.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -98.83 -35.97 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 65' ' ' SER . 13.5 mmt -100.05 3.24 44.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 34.2 34.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.1 m -133.26 162.61 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CD2' ' HD3' ' A' ' 91' ' ' ARG . 83.4 m-85 -97.71 167.48 10.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.41 132.01 3.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -65.93 89.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -32.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.8 t80 -142.87 143.65 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 t -152.05 115.97 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.73 -151.96 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.62 27.12 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 -176.98 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.5 p -118.52 -37.98 3.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.2 ttt-85 -84.52 159.36 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 67.1 t60 -167.18 122.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.57 103.55 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.509 ' CG1' HD21 ' A' ' 82' ' ' LEU . 93.9 t -66.21 110.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -89.36 175.06 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 53.69 74.97 0.25 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 31' ' ' SER . 93.7 mt -131.14 167.29 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -107.14 153.37 41.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 135.11 29.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 56.92 43.9 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 m -122.94 138.82 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -85.09 143.48 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 87' ' ' LEU . 56.2 m-85 -142.11 113.82 7.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.8 mttm -89.29 137.5 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 107' ' ' VAL . 56.5 m-85 -136.8 146.18 45.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.594 ' HD3' ' CD2' ' A' ' 66' ' ' TYR . 7.4 ptt180 -122.52 131.0 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 20' ' ' HIS . 16.4 tp -91.43 121.42 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -108.01 147.99 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -144.75 146.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.54 HG23 ' HB3' ' A' ' 101' ' ' TYR . 25.4 m -136.83 113.46 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' GLU . 4.6 p -49.92 155.59 1.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 5.34 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.7 m -112.34 -33.01 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.19 -37.42 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.642 ' HB3' HD13 ' A' ' 16' ' ' LEU . 6.5 mm-40 -54.09 156.35 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.54 ' HB3' HG23 ' A' ' 95' ' ' THR . 29.8 p90 -158.77 163.0 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mm-40 -151.57 -175.06 5.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 38.3 m-85 -142.45 145.61 33.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.445 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -91.68 162.74 30.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.77 121.4 8.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' PRO . 84.0 t -36.45 136.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 m -122.18 103.27 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 87' ' ' LEU . 20.4 p -88.32 127.45 35.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.94 HG11 HG21 ' A' ' 24' ' ' VAL . 16.9 m -136.11 136.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.36 123.94 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -61.58 179.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.601 HG23 HG22 ' A' ' 27' ' ' VAL . 31.3 p -94.63 174.28 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLU . 14.8 ptt180 -80.81 140.67 35.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 15.4 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.1 pp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -75.3 131.41 40.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -45.59 139.17 4.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 173.61 10.72 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -109.3 159.49 31.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.82 142.24 47.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.355 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 156.73 62.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.686 HG11 ' OH ' ' A' ' 35' ' ' TYR . 50.9 t -94.28 149.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.951 HG21 HG11 ' A' ' 109' ' ' VAL . 55.6 t -108.41 97.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -77.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 57.5 tttt -90.8 129.37 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.0 p -124.98 104.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.442 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 20.2 p -104.45 175.86 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 13.8 p80 -92.6 9.38 34.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 4.2 p80 -124.49 -27.37 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.6 m -153.65 173.66 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD13 HG23 ' A' ' 109' ' ' VAL . 73.7 mt -130.74 130.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -88.25 135.99 33.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 41.9 mt -140.84 133.28 28.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.686 ' OH ' HG11 ' A' ' 23' ' ' VAL . 53.2 p90 -140.67 127.71 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -127.8 36.15 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -77.61 16.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.93 -36.08 25.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 20' ' ' HIS . 5.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.2 m0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mp -87.38 149.37 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 54' ' ' PHE . 15.4 tpp180 -88.84 150.71 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 23.3 m-85 -139.85 112.1 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m -120.18 130.0 54.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 92' ' ' LEU . 33.1 mm -108.8 134.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 mt-10 -128.28 149.76 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 2.2 pp20? -123.69 138.23 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 25.6 tt0 -89.24 143.26 26.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.28 129.85 24.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.98 36.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -101.63 -33.68 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 14.2 mtt -96.71 2.37 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 34.02 35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 7.0 t -140.09 162.58 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 43.0 m-85 -98.11 170.21 9.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.18 129.66 2.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.473 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 87.8 t -64.41 92.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.0 pt -73.3 -32.83 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.3 t80 -142.98 143.89 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -151.84 125.16 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.33 -150.33 12.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 2.5 m-85 -121.1 28.58 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.83 -176.39 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.566 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 37.1 p -125.42 -39.24 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.595 HH21 HG21 ' A' ' 78' ' ' VAL . 36.2 ttt180 -90.06 152.07 21.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 72.0 t60 -162.5 117.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 HH21 ' A' ' 76' ' ' ARG . 40.2 t -106.54 105.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.6 t -65.14 106.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.22 171.68 9.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.62 60.36 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 82.2 mt -123.95 162.69 22.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -106.09 157.06 35.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.459 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 56.91 39.47 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.3 m -117.34 133.32 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.4 tm? -82.82 142.45 31.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.718 ' N ' HD13 ' A' ' 87' ' ' LEU . 57.5 m-85 -142.68 112.76 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 43.5 mttt -89.89 131.28 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 70.1 m-85 -130.09 151.61 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.422 ' NE ' ' CD2' ' A' ' 103' ' ' TYR . 2.5 ptm85 -129.89 129.46 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 20' ' ' HIS . 13.1 tp -91.34 126.55 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 21.3 tttt -116.03 143.96 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.25 145.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 53' ' ' ARG . 61.8 m -132.83 113.54 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' GLU . 85.7 p -53.44 153.79 6.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.745 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 12.05 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 96' ' ' SER . 5.4 t -117.43 -27.68 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.86 -30.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' SER . 13.0 mt-10 -60.2 153.73 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -157.58 166.41 32.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HB2' HD11 ' A' ' 16' ' ' LEU . 25.6 mm-40 -157.45 -175.56 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 14.0 m-85 -137.35 146.77 44.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.433 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.87 163.98 22.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.232 . . . . 0.0 112.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.7 t -40.17 134.44 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.8 m -120.73 102.52 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.83 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -83.93 127.85 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 24' ' ' VAL . 29.7 m -137.01 131.73 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.28 125.64 43.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.3 p -60.75 -179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 49.8 p -96.61 -179.44 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.92 161.79 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.517 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 2.9 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 94' ' ' VAL . 1.2 pt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -62.17 170.36 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -87.74 137.39 31.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.609 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -99.68 157.8 33.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.842 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.3 Cg_endo -69.78 138.64 38.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.73 140.87 43.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 t -85.85 151.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 60.8 t -110.73 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.61 -85.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -85.03 130.94 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG22 HG23 ' A' ' 112' ' ' THR . 7.1 p -120.44 116.74 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.2 p -118.23 164.44 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -83.1 6.57 18.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -124.56 -18.86 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.606 ' HA ' HD12 ' A' ' 82' ' ' LEU . 15.0 m -158.25 -179.71 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 ' CG2' ' A' ' 111' ' ' THR . 72.2 mt -143.7 126.27 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -82.26 138.93 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -144.57 133.24 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.8 p90 -140.95 119.73 12.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 43.5 p90 -114.01 38.52 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HG21 ' A' ' 75' ' ' THR . 13.5 t70 -81.44 26.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -98.72 -4.99 32.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.2 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 35.5 m0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD23 ' HD3' ' A' ' 97' ' ' PRO . 19.2 mt -92.84 153.0 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.8 148.49 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -138.28 112.07 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -113.14 133.65 54.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.641 HG22 HD11 ' A' ' 69' ' ' ILE . 25.1 mm -108.07 121.03 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -115.7 173.64 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.4 tp10 -153.18 155.49 36.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 33.3 tt0 -80.52 152.8 28.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 6.3 m-20 -113.44 116.84 45.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.42 30.92 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -99.06 -26.82 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.493 ' C ' ' CG ' ' A' ' 64' ' ' HIS . 33.8 mmt -105.01 -4.94 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CG ' ' C ' ' A' ' 63' ' ' MET . 0.7 OUTLIER 43.37 37.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -148.32 168.26 23.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 59' ' ' GLU . 2.9 m-85 -106.32 160.85 15.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 57' ' ' GLU . . . -145.42 -124.13 1.65 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' C ' ' A' ' 67' ' ' GLY . 96.3 t -157.25 106.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 56' ' ' ILE . 17.6 pt -85.5 -32.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.0 t80 -143.18 146.15 33.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.77 105.35 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.58 -164.14 24.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -103.12 -8.24 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.61 163.27 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.51 HG21 ' OD2' ' A' ' 37' ' ' ASP . 49.1 p -107.9 -26.27 10.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 51.0 ttp180 -101.74 153.0 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.0 t60 -163.7 109.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.1 t -96.79 101.14 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 58.3 t -59.68 105.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.3 172.03 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.88 75.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 31' ' ' SER . 96.0 mt -134.59 158.68 43.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -99.19 153.53 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.93 52.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.612 2.208 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 49.5 52.7 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 m -134.09 127.75 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.92 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.7 tm? -69.94 142.27 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.92 ' N ' HD13 ' A' ' 87' ' ' LEU . 46.9 m-85 -140.44 112.98 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HG3' HD11 ' A' ' 87' ' ' LEU . 38.0 mttm -89.2 135.83 33.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 60.3 m-85 -137.83 129.05 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' HD3' ' CD ' ' A' ' 57' ' ' GLU . 2.1 ptm180 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.1 tp -90.65 129.39 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.0 tttt -112.41 153.58 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.9 m -146.3 138.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.5 m -132.81 113.85 13.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -58.1 158.6 13.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.673 0.749 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.607 ' HD3' HD23 ' A' ' 52' ' ' LEU . 54.0 Cg_endo -69.77 0.97 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 t -102.13 -32.16 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.22 -27.18 2.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.96 153.0 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HB3' HG23 ' A' ' 95' ' ' THR . 54.8 p90 -155.61 143.33 19.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 27.2 mm-40 -130.97 174.98 9.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 27.5 m-85 -128.68 141.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.27 160.72 34.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.626 0.726 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.2 Cg_endo -69.69 114.86 3.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.404 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 10.3 p -41.48 138.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.2 m -121.46 103.0 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.863 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -79.99 122.07 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 16.8 m -131.31 127.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.1 124.12 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.5 ' CG2' HD11 ' A' ' 32' ' ' ILE . 71.7 p -58.7 178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.685 HG23 HG22 ' A' ' 27' ' ' VAL . 58.2 p -92.6 178.03 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -93.9 136.36 34.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -62.12 139.31 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 135.08 95.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.73 148.73 65.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -87.6 158.86 50.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.815 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.4 Cg_endo -69.75 139.3 39.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.78 141.28 44.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 35' ' ' TYR . 5.0 t -85.89 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.922 HG21 HG11 ' A' ' 109' ' ' VAL . 48.7 t -108.51 108.31 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.43 -83.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -82.25 125.99 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG12 HG23 ' A' ' 112' ' ' THR . 41.0 t -112.51 90.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -103.38 146.56 28.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.741 ' CD2' ' CE1' ' A' ' 30' ' ' HIS . 23.4 p-80 -71.59 2.72 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.741 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 64.1 m80 -119.14 -26.01 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.27 174.94 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.796 HD11 HG22 ' A' ' 111' ' ' THR . 85.0 mt -143.58 111.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 26.2 tt0 -83.18 147.87 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 24' ' ' VAL . 7.3 mt -144.45 154.13 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 23' ' ' VAL . 46.9 p90 -152.38 117.54 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CH2' HG13 ' A' ' 56' ' ' ILE . 40.7 p90 -116.12 40.21 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.685 ' OD1' HG21 ' A' ' 75' ' ' THR . 1.9 t70 -79.66 14.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -88.27 14.03 10.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.9 m0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.72 140.99 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -86.43 148.94 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' HD11 ' A' ' 92' ' ' LEU . 31.7 m-85 -137.05 112.02 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -112.88 121.14 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.521 HG13 ' CH2' ' A' ' 36' ' ' TRP . 36.2 mm -102.42 132.78 47.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 28.9 mt-10 -123.38 157.8 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.79 134.71 48.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 45.3 tt0 -95.48 156.99 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -114.3 130.65 23.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.86 37.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.82 -35.29 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 5.0 mtt -95.59 -5.71 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 39.94 31.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -125.67 157.29 37.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 38.1 m-85 -102.13 171.03 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.09 124.63 1.27 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.546 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.497 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 88.1 t -59.66 102.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -82.9 -31.74 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 85.2 t80 -141.71 144.44 34.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -150.68 112.32 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.57 7.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.49 22.34 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.41 179.4 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.685 HG21 ' OD1' ' A' ' 37' ' ' ASP . 43.0 p -122.57 -38.86 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -86.38 143.06 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.8 t60 -159.58 125.5 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG23 ' C ' ' A' ' 32' ' ' ILE . 3.4 p -121.24 101.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.903 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 61.3 t -49.03 103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -79.29 151.81 30.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 67.43 83.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CG1' ' A' ' 79' ' ' VAL . 85.0 mt -136.39 158.78 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.44 150.72 37.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.73 142.74 48.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 56.43 44.51 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.5 m -128.49 135.53 49.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -80.22 143.06 34.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.86 ' N ' HD13 ' A' ' 87' ' ' LEU . 65.3 m-85 -141.04 113.81 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HG3' HD11 ' A' ' 87' ' ' LEU . 67.0 mttt -87.44 136.67 32.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.903 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 25.4 m-85 -137.03 134.21 36.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 8.1 ptt85 -118.28 143.12 46.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 54' ' ' PHE . 19.5 tp -108.29 121.02 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 48.8 tttt -113.02 145.08 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.8 m -134.22 143.05 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.1 m -133.88 112.65 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 16' ' ' LEU . 2.6 p -55.69 155.76 10.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.86 2.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -106.43 -30.94 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.98 -33.45 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.781 ' HB3' HD13 ' A' ' 16' ' ' LEU . 7.6 mm-40 -60.45 151.94 26.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 95' ' ' THR . 50.0 p90 -158.85 157.54 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -140.79 -174.97 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -139.12 140.55 37.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.1 p -92.45 161.03 33.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.702 0.763 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.78 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 8.1 p -44.3 134.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 22' ' ' PRO . 5.3 m -116.0 102.45 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.901 ' HB2' HD21 ' A' ' 87' ' ' LEU . 16.2 p -82.77 125.38 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.922 HG11 HG21 ' A' ' 24' ' ' VAL . 8.9 m -134.82 127.73 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.5 122.24 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.796 HG22 HD11 ' A' ' 32' ' ' ILE . 5.8 p -57.44 171.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.591 HG23 HG12 ' A' ' 27' ' ' VAL . 69.7 p -87.88 -177.29 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -95.68 136.66 35.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.1 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 16' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 74.6 m -65.34 141.59 58.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -62.13 137.66 95.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.29 37.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -76.28 161.68 74.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.46 42.94 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.356 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.48 57.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.634 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.3 t -89.17 157.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 109' ' ' VAL . 97.4 t -116.71 105.57 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.57 -77.0 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.19 131.48 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 112' ' ' THR . 60.7 t -118.32 99.17 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 3.7 p -102.72 149.54 24.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 19.2 p80 -74.68 5.24 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 11.2 p80 -124.04 -12.58 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -162.14 178.48 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 109' ' ' VAL . 93.1 mt -139.3 123.74 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 78' ' ' VAL . 25.2 tt0 -82.29 137.03 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.66 137.78 32.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.634 ' OH ' HG11 ' A' ' 23' ' ' VAL . 34.4 p90 -145.05 120.72 10.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' LEU . 37.6 p90 -109.28 13.73 24.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TRP . 2.1 p30 -37.54 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.767 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -42.03 -51.98 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 4.7 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.3 m0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 40.5 mt -116.95 143.15 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -93.12 137.45 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.9 123.28 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 69' ' ' ILE . 14.9 mm -99.9 133.76 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 91' ' ' ARG . 4.0 mp0 -124.89 168.83 12.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.5 146.5 38.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.9 tt0 -91.04 147.46 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -108.74 125.79 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.49 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -100.09 -42.96 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mtt -86.05 -12.71 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 48.58 31.01 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -131.49 167.62 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -105.88 153.37 22.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.35 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 99.1 t -68.29 101.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 56' ' ' ILE . 35.2 pt -81.18 -35.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.59 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 68.9 t80 -141.61 144.5 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -150.48 131.27 14.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.43 -148.91 13.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -124.95 25.17 7.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 -179.98 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.497 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 65.6 p -117.81 -39.3 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 59.7 ttp180 -92.44 159.85 15.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 45.3 t60 -164.79 111.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' GLU . 42.4 t -99.89 97.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.542 ' CG1' HD21 ' A' ' 82' ' ' LEU . 58.2 t -55.47 104.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.69 163.8 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 68.36 64.2 3.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.7 mt -125.2 171.32 10.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -112.96 152.46 44.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.4 Cg_endo -69.78 135.69 31.04 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 61.18 41.08 13.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.688 HG22 ' CE1' ' A' ' 88' ' ' TYR . 22.8 m -124.73 141.99 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.08 147.08 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.688 ' CE1' HG22 ' A' ' 86' ' ' THR . 59.3 m-85 -142.09 136.43 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 22.6 mttm -107.8 136.47 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 35.7 m-85 -139.97 142.77 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' OE1' ' A' ' 57' ' ' GLU . 7.2 ptm180 -119.16 128.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 tp -90.55 131.53 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -125.4 154.83 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.48 152.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 101' ' ' TYR . 27.7 m -139.1 114.11 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 p -56.77 156.7 11.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.4 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -110.1 -32.01 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.92 -33.53 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.78 150.19 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.478 ' HB2' ' CE ' ' A' ' 93' ' ' LYS . 49.5 p90 -158.62 149.81 20.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.5 mm-40 -142.42 161.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.629 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 6.8 m-85 -115.04 145.31 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -95.44 160.05 31.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.57 7.33 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 95.2 t -42.84 140.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -124.45 118.3 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -95.92 129.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.918 HG11 HG21 ' A' ' 24' ' ' VAL . 24.2 m -138.08 140.08 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.13 125.68 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.469 HG22 ' CG1' ' A' ' 32' ' ' ILE . 50.0 p -62.92 -174.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.684 HG23 HG12 ' A' ' 27' ' ' VAL . 74.6 p -98.86 177.24 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 113' ' ' ARG . 0.6 OUTLIER -85.18 142.84 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 84' ' ' PRO . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -112.63 65.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -126.24 134.15 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.7 82.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -137.68 137.0 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.893 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -152.58 127.74 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.19 49.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ttp -137.0 130.11 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -126.36 143.35 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.95 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -78.52 130.32 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 13' ' ' VAL . 3.0 tptm 34.09 51.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 12' ' ' LYS . 36.9 t -164.65 141.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 14' ' ' VAL . 13.3 p -127.17 121.29 22.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 166.51 27.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -80.05 159.36 26.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 p -61.6 161.07 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -78.89 136.75 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.72 153.96 68.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -88.51 156.94 50.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.77 140.4 42.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.3 Cg_endo -69.71 142.45 48.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.408 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.602 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.9 t -87.03 153.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.101 HG21 HG11 ' A' ' 109' ' ' VAL . 58.6 t -109.62 104.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.02 -81.15 0.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -86.0 133.75 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 HG23 ' A' ' 112' ' ' THR . 59.0 t -121.59 109.53 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 11.5 p -111.8 148.84 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.51 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.3 p80 -72.42 2.13 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 11.1 p-80 -126.58 -7.51 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.72 174.02 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' CG1' HG22 ' A' ' 111' ' ' THR . 96.4 mt -141.13 121.37 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.906 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.2 tt0 -83.5 140.97 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 22' ' ' PRO . 22.1 mt -140.75 142.48 34.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.602 ' OH ' HG11 ' A' ' 23' ' ' VAL . 43.2 p90 -149.4 117.86 6.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 38.0 p90 -113.68 41.55 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.95 27.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -110.27 8.04 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 3.7 mp0 -112.3 -53.39 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.814 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -84.0 31.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 42' ' ' GLU . 54.0 mttt -54.74 -55.8 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -33.33 135.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -39.95 160.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLN . 34.6 ptt180 -81.58 43.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' ARG . 17.6 mm100 -36.47 115.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.81 179.77 40.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.19 31.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -56.36 -29.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.66 -21.61 66.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -90.79 26.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -100.86 161.98 13.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.19 157.79 16.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -98.42 140.63 32.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.14 114.41 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -116.47 125.36 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -105.31 139.43 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CG ' HG22 ' A' ' 68' ' ' VAL . 13.4 mt-10 -129.01 170.27 13.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.0 pt-20 -144.85 139.33 27.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -85.96 148.91 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -105.87 128.3 26.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -18.42 37.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.77 -36.42 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' SER . 32.4 mtm -97.5 1.23 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER 36.48 32.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.3 t -128.7 162.7 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 63.7 m-85 -98.66 158.63 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.3 121.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' GLU . 60.1 t -57.71 101.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 58' ' ' GLU . 30.0 pt -78.84 -29.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.457 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.9 t80 -142.09 148.88 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -151.21 113.13 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.189 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.06 -159.2 21.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.0 -7.37 15.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 156.61 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 27.4 p -102.75 -13.85 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.488 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.9 ttm180 -111.46 159.86 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 63.7 t60 -167.01 141.21 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.906 HG22 ' HA ' ' A' ' 33' ' ' GLU . 19.6 t -129.82 109.78 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 73.7 t -64.99 105.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -82.92 154.65 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 70.62 80.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 75.0 mt -135.42 171.85 13.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.7 153.59 49.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 136.57 33.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 62.02 38.96 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.735 HG22 ' CE1' ' A' ' 88' ' ' TYR . 24.0 m -122.74 136.69 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -89.67 148.07 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.735 ' CE1' HG22 ' A' ' 86' ' ' THR . 66.9 m-85 -142.06 133.77 26.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 31.6 m-85 -137.63 139.23 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 12.2 ptm180 -117.03 130.88 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 20' ' ' HIS . 18.4 tp -94.86 123.97 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -113.24 144.95 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.76 148.2 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -136.34 116.28 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -55.57 158.67 5.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 2.77 3.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 m -105.76 -32.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.6 -35.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.53 154.3 6.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -157.84 146.34 19.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 25.7 mm-40 -130.47 -175.03 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -137.24 146.05 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -92.99 157.68 38.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.21 8.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -37.28 136.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 90' ' ' PHE . 2.7 m -124.96 102.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 87' ' ' LEU . 54.0 p -86.75 128.2 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 24' ' ' VAL . 13.8 m -136.37 137.87 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.67 128.1 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.582 HG22 ' CG1' ' A' ' 32' ' ' ILE . 33.9 p -65.78 -179.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.483 HG23 HG12 ' A' ' 27' ' ' VAL . 22.6 p -93.52 169.13 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -78.57 150.8 32.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HG2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 mt-10 -58.2 119.55 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m -100.6 -59.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 177.08 178.19 46.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 173.02 11.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.8 t -96.1 -47.81 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -73.9 125.49 28.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' GLY . 88.2 p 36.61 42.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -66.65 -52.04 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.64 164.39 34.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -169.2 120.19 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -145.6 126.36 14.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.2 54.85 0.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.9 mmm -139.88 158.01 44.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.22 147.02 99.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 53.5 Cg_endo -69.83 -48.93 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 13' ' ' VAL . 2.0 p-80 -167.67 -175.03 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 11' ' ' HIS . 19.8 ptmt -33.02 -41.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 p -127.13 150.89 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -106.21 132.99 20.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.51 27.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.5 pp -53.15 176.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 16' ' ' LEU . 78.8 p -79.97 137.09 36.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -54.59 133.49 64.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -85.73 158.42 56.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 110.825 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.8 Cg_endo -69.76 138.53 38.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.18 42.22 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 24' ' ' VAL . 4.8 t -81.59 160.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.075 HG21 HG11 ' A' ' 109' ' ' VAL . 87.1 t -117.69 96.46 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.81 -87.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -83.99 128.05 34.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 27' ' ' VAL . 13.6 p -121.24 105.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.506 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 54.5 p -110.11 174.2 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.602 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 12.3 p80 -89.71 9.11 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.6 p80 -123.81 -28.43 3.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 82' ' ' LEU . 77.5 p -155.98 165.35 36.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 109' ' ' VAL . 48.4 mt -126.29 127.75 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CG2' ' A' ' 78' ' ' VAL . 8.9 tp10 -83.27 140.03 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 28.4 mt -140.9 131.88 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 50.9 p90 -143.04 118.77 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -117.09 31.75 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.694 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -77.26 41.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 37' ' ' ASP . 1.6 mm? -117.83 -12.98 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -92.62 -47.44 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -82.06 38.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -89.44 67.55 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -151.57 146.21 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' GLU . 6.3 ptpt -34.94 132.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -79.53 49.65 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -44.04 160.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.55 176.1 0.65 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.434 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.6 16.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -52.02 -38.64 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.09 -24.25 39.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 26.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -100.79 157.69 16.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.49 161.33 18.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -106.47 148.71 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -134.39 115.74 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -122.82 122.43 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.55 HD11 ' CH2' ' A' ' 36' ' ' TRP . 8.5 mm -99.85 149.6 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 2.3 mp0 -138.56 165.71 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 141.5 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -90.36 158.32 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.5 m-20 -112.8 128.59 25.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -26.5 27.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 63' ' ' MET . 4.8 ptmm? -97.96 -43.55 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.456 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 7.4 mmt -79.1 -35.62 41.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 72.39 25.35 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -127.59 158.55 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 47.4 m-85 -99.88 155.91 17.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.96 137.14 6.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.12 97.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.2 pt -77.72 -32.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 82.7 t80 -142.65 143.38 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.8 t -151.6 121.45 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.25 -151.97 11.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.84 25.91 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.67 178.97 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 19.2 p -120.53 -29.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 18.8 ttm105 -97.68 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.5 t60 -170.44 107.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.504 ' CG2' ' OE1' ' A' ' 33' ' ' GLU . 57.2 t -91.4 91.83 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.0 t -47.69 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -85.16 170.48 12.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 59.11 79.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 31' ' ' SER . 92.1 mt -137.97 161.92 35.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -106.83 153.7 40.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.657 0.742 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.65 38.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 56.9 46.67 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.2 m -130.18 136.2 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 108' ' ' SER . 1.8 tm? -85.38 141.5 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.3 m-85 -138.66 114.05 9.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.4 mttm -91.21 133.32 35.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 54.3 m-85 -132.29 149.15 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 11.9 ptm180 -124.73 126.92 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 93' ' ' LYS . 14.1 tp -90.81 130.83 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.1 tttt -117.49 149.34 40.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -141.29 145.9 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -142.29 118.55 10.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 159.79 33.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.66 0.743 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.27 2.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 m -103.62 -34.48 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.4 -36.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.86 151.35 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.572 ' HA ' HD21 ' A' ' 16' ' ' LEU . 43.7 p90 -158.45 155.22 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 16' ' ' LEU . 2.7 mm-40 -145.07 -179.83 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -131.23 152.33 50.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.34 159.78 29.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 120.0 6.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.6 t -38.77 137.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 107' ' ' VAL . 12.4 m -127.16 102.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.859 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.1 p -83.99 125.54 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 24' ' ' VAL . 12.6 m -131.6 126.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.01 125.74 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 32' ' ' ILE . 78.2 p -64.54 178.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.0 p -94.56 175.38 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.602 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 14.0 pt-20 -94.12 -35.95 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 4.6 t -122.9 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.91 179.25 36.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 108.49 2.09 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t -55.51 94.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -53.94 131.39 40.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.538 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -155.93 137.91 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m -123.08 168.33 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.99 174.74 37.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -98.21 171.76 8.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -144.47 166.04 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.2 163.18 11.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 tpt -108.4 -63.51 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.33 141.01 12.07 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.67 41.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' LYS . 3.4 t60 -59.25 176.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' HIS . 7.8 mtmp? -34.62 -52.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -87.67 140.35 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -90.9 116.84 67.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.58 0.705 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.42 27.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.36 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 100' ' ' GLU . 2.0 pt? -65.97 168.82 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 p -83.71 154.86 23.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -60.97 137.26 93.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.68 150.14 68.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -81.46 158.64 68.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.0 Cg_endo -69.8 136.82 33.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.381 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.63 58.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 24' ' ' VAL . 21.2 t -83.48 155.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.105 HG21 HG11 ' A' ' 109' ' ' VAL . 88.3 t -111.59 110.33 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.74 -97.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -75.34 126.94 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.638 HG12 HG23 ' A' ' 112' ' ' THR . 88.5 t -114.58 98.22 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 4.6 p -104.42 152.03 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.626 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 26.9 p80 -73.94 3.9 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.9 p80 -124.23 -3.69 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.8 p -175.31 167.73 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 109' ' ' VAL . 96.7 mt -131.68 126.74 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HA ' HG22 ' A' ' 78' ' ' VAL . 38.3 tt0 -86.63 139.01 31.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -140.21 142.68 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -152.25 126.11 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 75' ' ' THR . 39.0 p90 -125.49 19.7 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.35 -28.02 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.675 ' H ' HD12 ' A' ' 38' ' ' LEU . 7.1 mp -40.2 -48.95 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 3.1 mm-40 -60.15 -53.06 62.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 3.1 mp0 -76.17 49.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -91.35 31.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 43' ' ' LYS . 7.9 tp10 -121.37 147.87 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 28.8 mmtp -62.18 142.38 57.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -93.86 75.47 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.57 172.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 174.21 9.83 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 46.1 tt0 -53.68 -39.16 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.11 -22.72 52.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.35 18.3 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 44.2 m0 -94.82 164.08 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 97' ' ' PRO . 3.4 mp -95.07 151.43 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -98.08 146.12 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 40' ' ' GLN . 94.0 m-85 -131.14 120.24 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -117.04 136.85 52.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.548 HG22 HD11 ' A' ' 69' ' ' ILE . 41.6 mm -114.58 128.03 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 47.1 mt-10 -111.27 172.93 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 pp20? -148.37 131.38 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.7 tt0 -84.05 151.22 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 21.9 m-20 -107.82 132.9 20.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.19 37.06 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 -28.26 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' SER . 6.5 mmt -106.55 -2.35 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER 38.12 26.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.0 t -121.12 154.26 36.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 67.5 m-85 -95.01 158.59 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.57 111.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 56' ' ' ILE . 19.2 pt -95.38 -33.09 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 87.8 t80 -139.47 144.39 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.08 114.93 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.44 -151.45 7.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -123.23 25.78 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.954 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 174.19 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 49.4 p -113.11 -31.83 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 30.2 ttp180 -93.64 154.39 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 74.7 t60 -161.85 117.25 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 33' ' ' GLU . 12.2 t -106.81 98.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 HD21 ' A' ' 82' ' ' LEU . 98.9 t -63.16 114.73 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -95.61 -175.97 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.0 52.93 39.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 31.4 mt -114.8 161.63 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -105.46 155.86 37.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 53.85 50.5 16.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.2 m -131.79 130.43 41.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.902 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.0 tm? -74.57 142.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.837 ' N ' HD13 ' A' ' 87' ' ' LEU . 50.1 m-85 -142.02 114.33 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HG3' HD11 ' A' ' 87' ' ' LEU . 14.2 mtmt -90.05 145.45 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.615 ' O ' HG22 ' A' ' 107' ' ' VAL . 59.3 m-85 -146.94 151.78 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.581 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -123.66 147.09 47.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.3 tp -109.44 111.23 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 26.2 tttt -102.89 144.04 31.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.3 m -139.02 138.31 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 101' ' ' TYR . 61.9 m -125.72 110.28 13.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -53.98 158.41 3.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.694 0.759 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 54.4 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.382 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -100.69 -33.32 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.65 -24.08 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 16' ' ' LEU . 81.6 mm-40 -69.53 154.67 41.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' HB3' HG23 ' A' ' 95' ' ' THR . 39.6 p90 -158.01 158.7 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -151.64 175.88 11.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 8.7 m-85 -125.7 150.48 47.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.451 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -94.24 165.44 17.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.1 Cg_endo -69.73 119.01 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -34.72 139.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 90' ' ' PHE . 3.0 m -124.56 102.71 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.902 ' HB2' HD21 ' A' ' 87' ' ' LEU . 8.7 p -85.23 125.51 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.105 HG11 HG21 ' A' ' 24' ' ' VAL . 15.6 m -134.56 129.36 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 122.56 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 32' ' ' ILE . 14.2 p -63.99 179.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.638 HG23 HG12 ' A' ' 27' ' ' VAL . 31.7 p -95.55 179.42 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -86.66 153.92 21.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.626 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt-20 -89.53 36.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.6 p -38.65 102.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.47 160.47 26.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.99 19.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.371 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -40.04 -55.78 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -67.33 151.53 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -64.39 152.2 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 p -157.18 124.48 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.99 121.41 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -52.09 138.58 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -43.87 125.76 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.18 -86.17 0.32 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptp -98.22 136.98 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.678 0.275 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -152.28 142.46 15.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' HG2' HG22 ' A' ' 14' ' ' VAL . 54.1 Cg_endo -69.71 -177.25 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 12' ' ' LYS . 1.7 p-80 -62.43 173.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -32.2 -58.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.97 135.76 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 10' ' ' PRO . 85.3 t -107.82 121.79 42.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.5 27.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.09 168.83 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -74.7 135.88 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 10.1 mtmt -53.82 140.82 49.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 156.91 62.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.43 157.24 47.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.8 Cg_endo -69.75 139.68 40.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.57 65.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.667 2.245 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.597 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.7 t -90.93 156.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.854 HG21 HG11 ' A' ' 109' ' ' VAL . 55.5 t -113.12 97.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.26 -82.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -85.94 127.12 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' A' ' 24' ' ' VAL . 60.1 t -116.69 108.07 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.603 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 24.6 p -112.21 151.85 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.608 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 25.6 p80 -73.71 3.57 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 1.6 p-80 -122.38 -7.22 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' THR . 52.6 p -170.66 177.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.635 HG13 HD12 ' A' ' 82' ' ' LEU . 95.4 mt -140.31 121.59 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.575 ' HA ' HG22 ' A' ' 78' ' ' VAL . 31.9 tt0 -81.53 136.12 35.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' VAL . 42.1 mt -138.83 144.77 39.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.4 p90 -151.37 121.73 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.3 p90 -116.85 20.4 13.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' OD1' HG21 ' A' ' 75' ' ' THR . 29.3 t70 -53.09 -19.83 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -48.42 -59.64 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.64 -22.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 1.5 mp0 -101.0 57.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -67.11 -59.51 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -56.48 155.53 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -70.25 146.31 50.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -50.44 100.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -84.45 152.33 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.2 -175.08 1.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 166.49 27.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.527 ' HA ' ' CD1' ' A' ' 51' ' ' TRP . 34.3 tt0 -51.68 -41.71 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -47.76 -31.71 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -72.14 -31.14 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.527 ' CD1' ' HA ' ' A' ' 48' ' ' GLN . 37.4 m0 -38.48 157.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 11.5 mt -96.11 142.4 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -85.53 132.35 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.88 113.76 21.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -117.18 115.13 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mm -93.69 146.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 49.1 mt-10 -132.72 172.14 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' OE1' ' CG2' ' A' ' 69' ' ' ILE . 6.0 pt-20 -144.79 139.61 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.516 ' OE2' ' CZ ' ' A' ' 66' ' ' TYR . 39.9 tt0 -93.65 155.54 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.42 129.57 23.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -19.67 35.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -104.4 -37.87 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.1 mtt -93.23 -6.96 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 m80 42.95 28.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -120.43 159.48 25.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.516 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 65.1 m-85 -102.27 152.88 20.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.09 141.98 9.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.33 113.83 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 20.6 pt -92.77 -31.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 80.7 t80 -142.65 145.25 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -150.38 116.9 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 -149.64 7.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -123.31 22.64 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.923 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.78 -179.36 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 79.1 p -117.68 -41.08 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 21.8 ttm105 -86.47 159.6 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.1 t60 -166.98 109.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.6 t -96.43 101.44 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.5 ' CG1' HD21 ' A' ' 82' ' ' LEU . 54.7 t -62.88 103.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.67 172.32 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 61.1 64.21 4.25 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.769 HD22 ' CE2' ' A' ' 88' ' ' TYR . 30.9 mt -125.63 163.39 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.89 150.23 37.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.07 31.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 5.2 mmm180 62.19 40.36 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.663 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.9 m -124.69 144.7 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.5 tp -93.84 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.769 ' CE2' HD22 ' A' ' 82' ' ' LEU . 68.2 m-85 -141.5 138.51 32.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 53.4 mttt -107.86 138.52 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 42.8 m-85 -144.14 135.2 25.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.413 ' NH2' ' CB ' ' A' ' 66' ' ' TYR . 17.3 ptt180 -116.18 135.96 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 20' ' ' HIS . 27.2 tp -94.19 129.79 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -118.68 153.81 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.48 146.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.455 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.2 m -136.92 111.08 8.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 p -54.48 156.07 6.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.37 -28.33 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.79 -33.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -55.51 149.28 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.455 ' HB3' HG23 ' A' ' 95' ' ' THR . 44.9 p90 -157.99 149.73 21.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 10.7 mm-40 -139.49 -175.69 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -136.13 147.56 47.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.38 159.25 31.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.34 6.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 3.1 p -42.39 140.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' VAL . 10.8 m -124.35 102.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' HD21 ' A' ' 87' ' ' LEU . 93.3 p -82.01 131.1 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.854 HG11 HG21 ' A' ' 24' ' ' VAL . 30.6 m -139.79 144.03 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.6 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.477 HG22 ' CG1' ' A' ' 32' ' ' ILE . 22.7 p -67.89 179.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 27' ' ' VAL . 81.8 p -91.67 178.97 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -88.12 139.95 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.608 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 10.7 pt-20 -82.72 136.75 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.5 t -66.63 -44.4 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 141.38 133.2 2.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.45 27.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.7 p -98.6 165.41 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.1 m -63.46 118.92 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -128.93 -53.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -39.05 147.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.32 -176.48 47.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -112.98 148.99 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -80.74 175.48 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.03 170.54 12.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.7 mmt -65.87 105.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -136.1 138.75 28.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HG3' ' CD ' ' A' ' 15' ' ' PRO . 53.6 Cg_endo -69.76 -172.35 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 1.008 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.3 p-80 -153.83 146.15 23.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 11' ' ' HIS . 2.6 ptmm? 40.1 25.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' O ' ' A' ' 11' ' ' HIS . 7.4 p -175.91 145.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.7 p -119.32 123.11 28.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' CD ' ' HG3' ' A' ' 10' ' ' PRO . 54.0 Cg_endo -69.7 167.71 23.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.637 2.224 . . . . 0.0 112.398 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' N ' ' A' ' 102' ' ' GLU . 1.2 pt? -92.88 169.18 10.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -66.3 152.54 44.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -77.67 134.54 65.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.8 157.44 60.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.543 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -93.25 158.24 37.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.91 41.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.33 62.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.1 t -89.6 149.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.905 HG21 HG11 ' A' ' 109' ' ' VAL . 88.2 t -108.22 95.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.85 -82.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -84.03 136.31 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.04 103.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 68.1 p -110.39 171.27 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 114' ' ' GLU . 14.5 p80 -88.9 7.65 33.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 8.6 p80 -120.5 -29.57 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.6 m -153.52 173.46 15.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.62 HD13 HG23 ' A' ' 109' ' ' VAL . 73.9 mt -132.73 126.81 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HA ' HG22 ' A' ' 78' ' ' VAL . 30.8 tt0 -83.29 139.7 32.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -144.79 142.0 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.1 p90 -151.66 122.03 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 75' ' ' THR . 33.9 p90 -111.3 10.25 21.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 p-10 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' TRP . 8.0 mt -42.5 -55.39 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 12.9 mt-10 -63.51 -21.93 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.64 ' OE1' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.53 72.34 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLU . 35.4 mmtm -107.28 -67.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -37.36 126.65 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -48.09 146.98 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 110.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -84.22 104.16 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.0 -163.85 43.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.21 39.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 63.3 tt0 -45.35 -44.82 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -45.96 -35.26 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -85.65 31.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.536 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 33.0 m0 -105.72 164.72 11.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.78 158.72 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -108.3 146.21 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.9 m-85 -131.12 111.24 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 m -112.95 112.02 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.52 142.08 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 32.1 mt-10 -130.68 167.6 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -138.96 140.36 38.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 33.2 tt0 -83.73 160.26 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.4 t0 -113.48 123.6 32.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 60' ' ' ASP . 54.0 Cg_endo -69.75 -20.13 35.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 60' ' ' ASP . 5.3 ptmm? -111.89 -44.29 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 15.5 mmt -80.65 -18.19 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.7 m80 53.27 36.43 22.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -132.63 155.2 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 60.9 m-85 -95.85 151.38 19.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.46 134.72 5.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -68.31 97.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 70' ' ' TYR . 44.6 pt -75.06 -36.52 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.491 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.2 t80 -142.79 144.38 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -151.69 114.55 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.8 -149.29 6.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.96 26.77 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.74 -174.97 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.64 HG22 ' OE1' ' A' ' 40' ' ' GLN . 28.4 p -120.81 -40.54 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 29.4 ttp180 -91.2 158.54 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.7 t60 -165.55 108.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 33' ' ' GLU . 55.7 t -97.62 100.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.1 t -60.81 109.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.76 174.59 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.71 57.31 20.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 88' ' ' TYR . 81.9 mt -120.43 158.35 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -105.94 157.95 33.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.7 54.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 52.55 45.88 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 88' ' ' TYR . 79.6 m -126.52 133.71 51.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.2 tm? -84.75 142.08 30.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.859 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.6 m-85 -142.51 114.45 8.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HG3' HD11 ' A' ' 87' ' ' LEU . 61.2 mttt -90.0 135.25 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 107' ' ' VAL . 29.7 m-85 -133.56 137.23 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 13.2 ptm180 -117.8 129.46 55.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.6 tp -91.55 128.61 37.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -118.41 144.47 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 54' ' ' PHE . 3.4 m -135.19 147.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.7 m -139.29 114.44 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 159.64 7.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 1.5 4.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 t -103.75 -35.6 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.75 -34.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.33 149.84 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.438 ' N ' HD22 ' A' ' 16' ' ' LEU . 41.6 p90 -158.17 140.75 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' N ' HD21 ' A' ' 16' ' ' LEU . 9.7 mm-40 -126.74 -175.05 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -137.62 144.48 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -93.64 161.28 30.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.75 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.4 t -40.87 138.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 90' ' ' PHE . 16.5 m -123.84 102.41 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.871 ' HB2' HD21 ' A' ' 87' ' ' LEU . 26.3 p -85.64 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 24' ' ' VAL . 15.9 m -138.33 131.56 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.31 124.46 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.2 p -62.64 179.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.2 p -96.37 -177.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 162.55 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 pt-20 -115.06 -38.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 10.4 m -84.26 -54.13 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.37 -166.77 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 t -107.73 144.38 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.3 p -116.66 147.21 42.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -89.94 85.55 6.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -174.17 130.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.85 -44.61 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -160.37 169.9 22.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -95.24 152.95 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.32 148.96 17.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.58 169.72 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.0 136.2 20.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' LYS . 40.4 t-80 -50.33 171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' HIS . 81.9 tttt -36.13 -47.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.93 144.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' HD2' ' A' ' 15' ' ' PRO . 6.9 p -84.61 134.48 42.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' HD2' HG23 ' A' ' 14' ' ' VAL . 53.0 Cg_endo -69.79 166.72 26.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 102' ' ' GLU . 3.9 pp -68.11 173.16 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 p -79.17 128.81 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -44.11 138.81 3.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -84.59 157.23 61.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HB2' HG11 ' A' ' 107' ' ' VAL . 54.1 Cg_endo -69.77 140.0 41.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.42 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 141.03 44.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' OH ' ' A' ' 35' ' ' TYR . 42.2 t -83.64 153.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 109' ' ' VAL . 75.8 t -114.5 97.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.85 -83.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -85.04 130.38 34.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 112' ' ' THR . 8.1 p -118.86 106.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 21.6 p -107.47 160.47 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -81.03 5.41 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.3 p80 -124.74 -16.18 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.2 p -161.31 171.62 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' A' ' 82' ' ' LEU . 30.1 mt -132.6 126.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.7 tt0 -80.07 140.98 36.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 22' ' ' PRO . 49.5 mt -142.01 140.01 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.707 ' OH ' HG11 ' A' ' 23' ' ' VAL . 38.8 p90 -152.22 120.53 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.501 ' CH2' HG13 ' A' ' 56' ' ' ILE . 44.7 p90 -124.9 39.5 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 17.6 p-10 -80.36 18.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.99 -41.49 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.95 -65.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.776 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -77.9 47.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -115.11 43.66 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -110.32 -41.82 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -174.62 122.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -111.9 -31.95 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -39.52 105.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.17 -163.14 30.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.22 13.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -87.28 -42.9 12.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.67 -17.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -90.49 24.46 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -106.41 162.15 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.72 145.0 27.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -86.06 151.13 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.05 118.18 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 m -120.65 114.6 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.501 HG13 ' CH2' ' A' ' 36' ' ' TRP . 25.1 mm -97.63 143.65 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 68' ' ' VAL . 5.2 mp0 -133.21 171.82 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.4 pt-20 -145.07 143.42 30.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 51.5 tt0 -92.34 156.82 16.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' HIS . 23.2 m-20 -113.12 127.46 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.02 37.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.0 -36.06 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 30.1 mmt -96.56 -3.08 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' ASP . 14.4 m-70 39.4 26.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.4 m -121.92 164.64 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 76.2 m-85 -105.77 170.19 8.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 131.68 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 76.2 t -60.67 104.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 41.0 pt -85.1 -30.91 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.538 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 54.3 t80 -143.15 143.14 31.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -152.51 129.51 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.39 -150.11 13.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.18 23.05 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.964 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.82 166.49 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 75.0 p -109.89 -24.01 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 34.1 ttm-85 -99.07 159.55 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 78.5 t60 -165.78 159.69 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' GLU . 64.3 t -147.43 117.65 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.53 ' CG1' HD21 ' A' ' 82' ' ' LEU . 72.9 t -81.66 107.94 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.37 178.62 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 52.51 72.72 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.825 HD22 ' CE2' ' A' ' 88' ' ' TYR . 67.9 mt -130.31 169.33 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.35 149.72 39.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.697 0.761 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.447 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.8 138.98 38.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 58.65 38.84 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.6 m -123.0 144.35 49.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.7 tp -93.89 146.97 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.825 ' CE2' HD22 ' A' ' 82' ' ' LEU . 47.4 m-85 -139.26 138.26 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -108.78 136.13 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 36.7 m-85 -139.9 144.21 37.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLU . 5.7 ptm180 -122.62 130.88 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 56' ' ' ILE . 12.5 tp -96.88 131.33 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 103' ' ' TYR . 2.3 tttm -118.03 144.53 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 1.5 m -133.76 138.77 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -121.86 108.09 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 4.4 p -52.96 155.46 4.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 4.39 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 m -103.9 -28.16 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.64 -21.88 3.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.51 160.53 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 14.3 p90 -155.84 170.08 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.565 ' HB2' HD11 ' A' ' 16' ' ' LEU . 43.3 mm-40 -159.5 169.3 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.601 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 4.4 m-85 -119.63 151.2 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.2 p -92.83 160.44 34.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' VAL . 53.4 Cg_endo -69.73 120.52 7.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' PRO . 86.2 t -36.29 130.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 21' ' ' PRO . 10.5 m -120.56 102.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.583 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.4 p -86.54 128.96 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 24' ' ' VAL . 16.7 m -137.66 139.98 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.26 130.46 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 p -66.54 -174.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 27' ' ' VAL . 72.3 p -98.98 170.55 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -76.76 150.4 36.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 84' ' ' PRO . 76.3 mt-10 -56.91 -39.09 73.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t 61.76 42.93 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.71 61.9 0.47 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.37 2.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' SER . 17.7 t -154.47 118.61 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' SER . 1.2 t -36.08 122.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -83.92 81.32 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 117.1 7.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 77.82 0.29 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -78.01 123.93 27.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -66.7 96.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.34 96.54 1.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ptm -124.34 122.0 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.307 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.19 148.78 7.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.38 2.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' LYS . 10.8 p-80 -50.19 172.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' HIS . 28.3 ttpt -36.35 -46.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.15 138.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.98 123.21 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.59 27.03 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.36 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.5 pp -56.35 136.59 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.15 159.04 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -59.77 136.31 89.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.77 147.59 63.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.441 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -79.4 157.06 75.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.42 45.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.89 68.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.322 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.751 HG11 ' OH ' ' A' ' 35' ' ' TYR . 59.3 t -91.46 153.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.842 HG21 HG11 ' A' ' 109' ' ' VAL . 98.4 t -108.57 95.16 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.14 -85.89 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -82.71 134.53 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 112' ' ' THR . 90.3 t -122.43 111.27 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 75.6 p -118.64 157.59 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 25.9 p80 -80.85 6.81 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.5 p80 -124.54 -21.26 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -153.52 178.02 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 HG23 ' A' ' 109' ' ' VAL . 96.9 mt -142.35 121.72 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 78' ' ' VAL . 23.5 tt0 -81.87 140.75 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 mt -141.44 134.87 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.751 ' OH ' HG11 ' A' ' 23' ' ' VAL . 50.4 p90 -144.17 124.43 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.482 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.8 p90 -121.49 21.67 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -51.67 -22.87 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -43.01 -71.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.7 mt-10 -41.44 -29.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 3.0 mm100 -80.94 43.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -61.39 -55.11 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 151.41 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLN . 45.2 mtpt -85.58 150.11 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.76 75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.8 tp-100 -71.84 -46.53 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.71 -178.71 44.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 160.37 49.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -45.07 -46.85 11.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.3 -42.96 70.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' TRP . 1.7 tp-100 -51.94 -34.56 42.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' GLN . 33.2 m0 -34.68 151.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 13.2 mt -90.9 156.14 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -98.25 147.56 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CZ ' ' OE1' ' A' ' 40' ' ' GLN . 62.6 m-85 -137.95 112.03 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -106.41 136.05 46.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.87 119.18 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' VAL . 31.7 mt-10 -111.44 172.0 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -142.43 135.19 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.99 165.21 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.93 132.32 24.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -22.9 31.64 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -101.33 -45.53 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 21.1 mtt -79.8 -24.62 41.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 56.9 36.67 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -137.91 158.18 44.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 96.6 m-85 -95.11 157.25 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.53 125.68 2.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 57' ' ' GLU . 45.6 t -61.4 96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 38.6 pt -77.82 -29.71 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -143.04 143.58 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.73 114.11 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.43 -149.61 6.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -125.69 25.32 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.57 173.59 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 64.6 p -109.21 -37.72 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 7.9 ttm105 -88.47 154.14 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.5 t60 -165.09 120.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.2 t -107.49 103.78 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.483 ' CG1' HD21 ' A' ' 82' ' ' LEU . 73.8 t -62.01 107.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.89 163.81 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.87 67.08 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 69.2 mt -126.49 159.05 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -101.57 152.09 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.22 39.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 55.89 48.2 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.7 m -130.84 138.6 49.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.5 tm? -83.49 143.57 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.2 m-85 -142.43 113.63 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.7 mtmt -88.58 138.96 30.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 58.4 m-85 -140.9 131.39 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 5.6 ptm85 -109.34 128.43 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 20' ' ' HIS . 12.6 tp -91.49 130.49 37.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 9.8 tttt -115.31 155.01 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -146.78 139.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.613 HG23 ' HB3' ' A' ' 101' ' ' TYR . 20.1 m -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.9 m -60.55 159.15 26.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.753 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -106.49 -34.07 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.78 -34.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' HB2' HD23 ' A' ' 16' ' ' LEU . 33.6 mt-10 -51.46 145.95 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.613 ' HB3' HG23 ' A' ' 95' ' ' THR . 52.4 p90 -158.49 148.83 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -142.31 -176.65 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 31.7 m-85 -132.74 145.89 51.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.88 161.38 31.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.725 0.774 . . . . 0.0 110.808 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.82 117.5 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.6 p -40.27 129.49 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 90' ' ' PHE . 23.7 m -115.68 107.23 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.803 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.5 p -88.79 118.02 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.842 HG11 HG21 ' A' ' 24' ' ' VAL . 28.4 m -126.46 133.38 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.99 129.96 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.457 HG22 ' CG1' ' A' ' 32' ' ' ILE . 63.2 p -64.82 -174.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.92 HG23 HG12 ' A' ' 27' ' ' VAL . 54.1 p -101.91 173.07 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CD ' ' H ' ' A' ' 116' ' ' GLY . 0.3 OUTLIER -76.65 146.39 38.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.591 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 11.0 pt-20 -93.87 -38.97 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' GLY . 65.2 p -37.0 -41.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.47 ' H ' ' CD ' ' A' ' 113' ' ' ARG . . . 35.42 -145.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 116' ' ' GLY . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -135.7 155.14 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.9 t -136.13 152.48 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 119' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 70.5 p -101.67 42.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.4 t -38.14 -46.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.91 128.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -170.7 118.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -147.61 140.96 25.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.78 153.57 10.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptp -110.21 134.12 52.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.749 0.309 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.58 145.88 31.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.653 0.739 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.16 15.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 12' ' ' LYS . 18.3 p-80 -99.54 -53.3 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -135.05 -33.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 m -76.2 152.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.7 p -118.55 116.08 35.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 166.48 27.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.0 pp -95.36 153.22 17.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 16' ' ' LEU . 18.3 m -68.91 140.34 55.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 9.1 mtmt -54.31 136.81 60.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.65 147.17 62.95 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.412 ' O ' HD23 ' A' ' 92' ' ' LEU . 1.3 m-70 -80.22 157.99 72.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.79 142.73 48.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.74 141.46 45.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 21.8 t -84.06 151.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.901 HG21 HG11 ' A' ' 109' ' ' VAL . 87.7 t -111.46 103.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.83 -80.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.84 131.49 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -123.52 112.73 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.616 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 47.4 p -115.96 154.48 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 13.8 p-80 -74.4 4.45 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.616 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 3.0 p-80 -122.95 -19.1 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -160.27 167.3 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.43 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -129.44 131.75 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 78' ' ' VAL . 42.6 tt0 -89.44 135.73 33.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 22' ' ' PRO . 32.2 mt -141.12 136.2 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.0 p90 -144.15 127.28 16.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.492 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.5 p90 -124.07 41.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.57 19.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -92.97 -11.24 33.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 11.3 mm-40 -90.56 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.809 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -77.35 44.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 10.2 mmtm -60.6 -56.04 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.2 138.25 26.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -60.92 168.26 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -81.48 147.21 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -101.51 -45.78 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.73 -158.22 22.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 165.27 31.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.617 2.211 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 51' ' ' TRP . 37.6 tt0 -56.62 -37.72 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.47 -29.71 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 51' ' ' TRP . 70.2 mm-40 -74.41 -39.46 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' HA ' ' A' ' 48' ' ' GLN . 33.3 m0 -34.05 144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.77 165.19 25.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -107.95 138.72 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -122.7 120.09 32.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -120.25 130.82 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.492 HD11 ' CH2' ' A' ' 36' ' ' TRP . 19.5 mm -108.16 132.65 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 20.5 mt-10 -121.16 153.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.1 pp20? -122.88 134.09 54.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 27.2 tt0 -83.28 153.67 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 20.7 m-20 -113.65 127.07 27.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.06 28.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -99.75 -31.56 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mmt -100.95 4.61 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.497 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.4 OUTLIER 30.67 37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 t -134.38 163.09 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 93.2 m-85 -101.15 167.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.77 126.97 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.3 t -59.15 101.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 31.2 pt -84.7 -33.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 69.1 t80 -139.38 145.1 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -152.05 112.18 4.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.84 -158.02 15.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.71 21.73 14.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.83 169.42 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.479 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 26.8 p -109.48 -21.18 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.3 ttp180 -104.61 157.02 17.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 44.5 t60 -163.91 112.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.6 t -100.83 98.98 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 72.5 t -59.27 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -89.14 166.51 13.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.02 68.88 1.49 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 76.7 mt -129.12 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -103.6 153.88 38.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.22 42.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 56.9 46.21 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -128.81 134.21 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 108' ' ' SER . 1.5 tm? -82.22 142.83 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.72 ' N ' HD13 ' A' ' 87' ' ' LEU . 51.7 m-85 -140.74 114.67 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 62.3 mttt -88.31 138.34 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 51.6 m-85 -138.11 141.76 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 14.4 ptm180 -123.56 130.88 53.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 93' ' ' LYS . 16.8 tp -92.4 128.69 38.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.416 ' N ' HD12 ' A' ' 92' ' ' LEU . 27.8 tttt -118.15 151.73 37.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.66 141.2 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 m -128.62 109.11 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -51.63 155.5 2.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.32 2.86 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -107.15 -29.01 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.52 -30.4 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.15 152.95 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -158.06 143.43 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.7 mm-40 -130.69 179.97 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -134.41 141.75 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -92.61 159.22 36.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.73 5.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 4.7 p -40.46 142.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.8 m -124.47 102.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.81 ' HB2' HD21 ' A' ' 87' ' ' LEU . 2.5 p -84.25 117.49 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.901 HG11 HG21 ' A' ' 24' ' ' VAL . 28.3 m -130.78 129.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.07 132.85 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -68.51 -175.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.9 p -97.18 -174.82 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -99.36 132.09 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.595 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -60.43 178.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.405 ' C ' ' OE2' ' A' ' 114' ' ' GLU . 59.6 p -113.1 126.38 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -157.33 -158.0 8.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -29.17 24.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.5 m -43.14 103.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 m -127.77 -47.36 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -44.16 -44.64 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m -50.54 161.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.27 111.8 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 t -168.84 154.55 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -172.38 170.41 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.39 73.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.0 mtm -126.52 123.77 38.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.707 0.289 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -91.99 138.67 24.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.03 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -61.57 -174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -39.95 -64.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -76.18 139.19 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 15' ' ' PRO . 95.6 t -88.72 136.69 30.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 14' ' ' VAL . 54.1 Cg_endo -69.83 166.43 27.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.1 pt? -69.18 172.02 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -73.67 155.92 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -75.52 132.14 76.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.68 137.87 36.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CD2' ' CD ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -72.68 162.89 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.0 Cg_endo -69.79 140.59 42.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.586 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.77 140.41 42.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' OH ' ' A' ' 35' ' ' TYR . 38.2 t -88.32 160.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.987 HG21 HG11 ' A' ' 109' ' ' VAL . 29.6 t -116.4 108.54 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.81 -88.05 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 85.1 tttt -79.9 139.05 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.67 113.84 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.457 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 60.7 p -123.9 153.06 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 22.4 p80 -74.75 5.55 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 17.2 p80 -122.63 -8.29 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 82' ' ' LEU . 58.8 p -173.32 169.58 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.739 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -132.44 127.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 24' ' ' VAL . 22.4 tt0 -80.46 139.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 90' ' ' PHE . 20.3 mt -143.56 128.87 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' OH ' HG11 ' A' ' 23' ' ' VAL . 32.2 p90 -136.21 130.43 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.497 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.6 p90 -124.48 34.22 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.32 -2.52 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.61 -24.07 64.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.608 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 6.2 mm-40 -76.72 -70.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -80.47 42.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -51.89 -58.05 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -46.45 155.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.8 146.44 52.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 15.5 mmt180 -94.96 46.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -41.71 -59.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.44 177.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 156.05 63.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 60.8 tt0 -52.15 -42.36 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -49.32 -23.67 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -95.17 27.74 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.517 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 38.9 m0 -104.83 158.67 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp -92.23 158.25 16.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -100.13 145.46 27.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.4 m-85 -130.85 118.61 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -117.04 113.53 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mm -94.99 127.53 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 68' ' ' VAL . 17.6 mt-10 -117.37 168.21 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.12 134.06 43.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -90.3 153.42 20.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' HIS . 8.4 m-20 -116.42 128.5 25.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.24 36.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -103.31 -37.86 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mmt -93.42 -10.16 36.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.5 m-70 45.71 26.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -119.32 161.6 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -101.78 153.02 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.22 123.5 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.461 HG22 ' CG ' ' A' ' 57' ' ' GLU . 76.1 t -64.62 99.92 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 pt -81.35 -32.04 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.443 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 70.5 t80 -142.6 144.21 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 t -150.77 113.14 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.36 -148.88 6.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -122.97 21.62 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.23 179.69 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 70.9 p -118.28 -36.06 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.5 ttp180 -96.34 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 59.6 t60 -164.28 109.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.4 t -96.38 101.02 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.1 t -58.77 107.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -88.57 167.51 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.51 61.13 6.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.8 mt -120.23 163.12 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -103.8 151.53 38.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.54 40.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 57.34 41.98 25.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 88' ' ' TYR . 17.9 m -125.34 144.25 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -93.5 147.49 22.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 86' ' ' THR . 61.6 m-85 -142.35 139.7 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 27.7 mttm -106.22 132.0 52.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 107' ' ' VAL . 46.9 m-85 -139.93 131.97 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.567 HH12 ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -111.64 173.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 54' ' ' PHE . 12.6 tp -133.21 108.11 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 55.4 tttt -101.35 140.33 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 54' ' ' PHE . 1.8 m -129.5 148.44 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.0 m -135.53 104.97 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.2 m -45.94 153.15 0.68 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.23 2.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -105.17 -27.65 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.53 -27.12 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' SER . 68.7 mm-40 -67.39 156.77 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -158.17 162.3 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.5 mm-40 -145.92 -175.58 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 9.8 m-85 -139.81 140.42 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.567 ' N ' HH12 ' A' ' 91' ' ' ARG . 1.7 p -92.79 157.88 38.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 11.6 p -38.29 146.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 90' ' ' PHE . 4.0 m -132.72 102.82 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 87' ' ' LEU . 94.9 p -78.48 138.51 38.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.987 HG11 HG21 ' A' ' 24' ' ' VAL . 28.6 m -145.14 141.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.48 128.43 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.595 HG22 ' CG1' ' A' ' 32' ' ' ILE . 42.7 p -68.54 -175.3 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.6 p -97.84 -176.18 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -90.25 150.2 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 6.8 pt-20 -93.19 143.46 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 t -43.76 113.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.79 175.12 35.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.68 18.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.5 p -137.09 176.34 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.2 t -108.96 132.5 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -160.17 162.19 33.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 29.0 t -103.45 -44.42 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.32 65.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -82.76 141.2 32.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.82 53.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.14 155.88 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -145.78 153.17 50.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -178.3 2.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' LYS . 24.2 t60 -63.22 174.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' HIS . 1.8 tppp? -37.12 -61.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.12 139.9 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.09 128.19 83.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 166.52 27.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.18 171.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -77.4 166.26 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -81.85 134.31 50.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.81 159.07 54.72 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -94.9 162.98 23.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.841 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.78 142.26 47.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG11 ' OH ' ' A' ' 35' ' ' TYR . 12.6 t -85.25 151.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.847 HG21 HG11 ' A' ' 109' ' ' VAL . 58.4 t -115.98 103.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.99 -77.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.79 130.87 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.91 112.68 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.619 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 49.0 p -114.51 151.73 32.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 21.2 p80 -73.74 2.18 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 5.1 p-80 -121.7 -12.04 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.496 ' HA ' HD12 ' A' ' 82' ' ' LEU . 99.4 p -166.48 169.09 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 109' ' ' VAL . 65.3 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -81.72 130.28 35.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 22' ' ' PRO . 19.6 mt -134.76 141.85 46.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 23.0 p90 -150.25 125.42 10.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.487 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.3 p90 -118.27 33.17 5.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 38' ' ' LEU . 3.2 p-10 -74.6 44.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD22 ' C ' ' A' ' 37' ' ' ASP . 2.6 mm? -114.3 -29.41 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 54' ' ' PHE . 14.7 pt-20 -77.65 -48.85 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.857 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -90.1 64.35 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 40' ' ' GLN . 25.1 mttt -47.13 175.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.89 51.78 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -155.86 105.09 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -98.18 142.01 30.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -92.15 -40.87 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.41 -159.31 10.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 165.25 31.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.31 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.13 -47.23 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.29 -20.31 58.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -73.91 -38.74 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLN . 44.3 m0 -34.25 150.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 27.2 mt -75.32 143.77 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.9 ttm180 -80.31 151.51 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 19.4 m-85 -138.27 112.35 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -119.02 130.25 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 69' ' ' ILE . 48.2 mm -103.98 149.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 91' ' ' ARG . 1.7 mp0 -139.58 171.85 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 12.1 pt-20 -149.15 139.51 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 41.8 tt0 -87.38 152.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.77 131.13 21.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -102.12 -41.0 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.6 mmt -89.41 -8.1 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 41.6 37.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -135.86 158.61 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 74.4 m-85 -97.97 150.15 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 124.79 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.49 105.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 56' ' ' ILE . 47.5 pt -83.65 -33.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.4 ' N ' HG13 ' A' ' 69' ' ' ILE . 83.7 t80 -142.61 150.07 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -150.3 121.48 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.11 -160.72 33.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -104.35 -16.13 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.82 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.487 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -111.01 -28.95 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 78' ' ' VAL . 35.9 ttt-85 -99.97 156.71 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -164.37 113.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.549 HG21 ' NH2' ' A' ' 76' ' ' ARG . 53.7 t -100.79 96.69 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 82' ' ' LEU . 78.0 t -56.69 107.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -86.91 169.37 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.17 61.01 7.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.3 mt -120.54 161.01 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -104.46 158.73 31.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.94 52.45 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.518 ' NE ' ' CG ' ' A' ' 113' ' ' ARG . 10.0 mmt180 45.08 44.66 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 m -119.9 132.22 55.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.3 tm? -80.49 138.2 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.4 m-85 -139.36 112.77 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' A' ' 87' ' ' LEU . 5.6 mtmp? -88.33 137.77 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.725 ' O ' HG22 ' A' ' 107' ' ' VAL . 34.7 m-85 -136.89 138.88 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' CG ' ' OE1' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -117.0 128.24 54.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.0 128.19 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -116.24 146.22 42.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.78 146.05 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -133.43 118.82 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -60.07 161.21 13.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 52' ' ' LEU . 53.4 Cg_endo -69.8 -0.01 6.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -103.2 -36.37 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.6 -31.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -55.44 152.65 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -156.07 140.89 17.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 5.9 mm-40 -125.88 -175.7 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.29 146.71 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -93.09 160.04 34.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.34 9.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 89' ' ' LYS . 89.3 t -39.04 137.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 90' ' ' PHE . 30.0 m -125.58 103.54 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.83 ' CB ' HD21 ' A' ' 87' ' ' LEU . 10.4 p -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 24' ' ' VAL . 20.3 m -124.43 128.49 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.13 126.89 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.2 p -66.35 -174.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -100.94 -178.24 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.518 ' CG ' ' NE ' ' A' ' 85' ' ' ARG . 17.5 mtm105 -77.18 162.45 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 22.0 mt-10 -69.78 155.46 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.5 m -131.0 174.19 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.75 141.68 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -30.47 22.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.4 m -93.79 153.48 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 t -70.68 86.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -67.97 139.4 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -70.57 -61.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.19 -173.75 36.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -128.68 124.75 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -158.2 139.58 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 64.1 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 mtp -87.74 168.84 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -145.92 140.58 15.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 179.07 3.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.39 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' LYS . 6.2 p-80 -46.5 170.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' HIS . 33.1 tptt -35.82 -68.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.0 158.49 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.64 123.55 39.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.49 27.44 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.54 169.21 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -77.44 129.99 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -44.75 140.37 3.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.07 13.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.65 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -105.3 157.56 34.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.5 Cg_endo -69.81 138.75 38.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 140.77 43.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 15.2 t -84.27 154.71 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 109' ' ' VAL . 93.5 t -111.24 95.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.23 -86.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -82.57 134.57 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.829 HG22 HG23 ' A' ' 112' ' ' THR . 10.1 p -121.71 104.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.61 164.35 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 112' ' ' THR . 18.3 p80 -85.97 8.06 21.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -126.35 -12.62 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -166.38 172.69 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.606 HD13 HG23 ' A' ' 109' ' ' VAL . 63.6 mt -133.49 126.71 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HA ' HG22 ' A' ' 78' ' ' VAL . 29.4 tt0 -83.46 137.71 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 mt -140.82 139.47 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.4 p90 -148.25 123.79 10.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.5 p90 -121.4 38.64 4.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.16 24.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 38' ' ' LEU . 5.6 mp -96.3 -28.27 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.514 ' OE2' HD21 ' A' ' 92' ' ' LEU . 13.4 pt-20 -78.3 -54.38 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.509 ' C ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -83.2 29.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -53.07 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' LYS . 43.6 tt0 -40.42 129.14 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.5 mtmt -36.37 152.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 51' ' ' TRP . 3.3 mpt_? -63.35 -39.46 94.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 46.49 42.59 11.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.11 175.33 35.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 158.95 55.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.528 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 38.8 tt0 -49.77 -37.77 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.53 -30.32 53.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -86.56 28.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 44' ' ' ARG . 34.6 m0 -103.06 148.79 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.24 164.23 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -104.44 151.95 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -134.26 115.02 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -116.41 114.05 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.466 HD11 ' CH2' ' A' ' 36' ' ' TRP . 14.7 mm -95.98 132.77 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 8.7 mt-10 -126.8 167.96 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.1 tt0 -146.35 150.07 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -87.04 148.6 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 1.1 m-20 -103.75 129.41 25.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -29.96 23.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HD2' ' CG ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.67 -36.54 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.486 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 35.7 mtt -90.3 -7.53 53.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.9 m80 42.94 31.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.7 t -134.32 161.53 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 42.0 m-85 -94.75 157.55 15.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.1 144.11 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -74.28 102.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.2 pt -80.81 -36.85 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 75.0 t80 -138.53 144.06 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 t -151.94 118.27 5.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.33 -148.11 6.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -122.55 24.6 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.38 179.64 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.534 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 30.2 p -119.5 -34.88 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 31.9 ttm180 -89.36 151.35 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.6 t60 -162.48 108.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.8 t -96.84 99.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 53.5 t -58.61 101.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.82 169.13 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.589 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 58.14 75.79 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 88' ' ' TYR . 47.8 mt -133.67 158.54 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -98.92 150.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.78 146.58 60.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 4.7 mmm180 52.73 36.48 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.1 m -120.62 143.61 48.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.3 tp -93.03 148.72 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 82' ' ' LEU . 55.3 m-85 -142.03 131.77 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -104.02 133.03 49.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 65.7 m-85 -133.14 136.91 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 13.3 ptm180 -115.04 126.89 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 20' ' ' HIS . 19.9 tp -91.02 127.52 36.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -117.92 146.25 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.64 147.55 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 m -138.35 113.18 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -53.44 159.55 2.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.13 6.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.2 m -104.51 -37.03 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.52 -32.05 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.92 151.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -156.63 155.4 31.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -144.61 -175.59 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -137.26 147.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 p -95.42 160.73 29.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 120.99 7.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -41.47 134.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.3 m -122.18 102.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 87' ' ' LEU . 37.1 p -83.54 131.37 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.992 HG11 HG21 ' A' ' 24' ' ' VAL . 28.7 m -137.57 142.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.34 126.68 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.462 HG22 ' CG1' ' A' ' 32' ' ' ILE . 80.9 p -62.37 -178.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.829 HG23 HG22 ' A' ' 27' ' ' VAL . 43.1 p -95.09 165.6 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.38 150.4 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 36.1 mt-10 -60.38 -179.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.0 t -129.02 -46.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.83 -112.54 0.79 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.8 m -77.99 121.16 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.2 p -150.75 125.86 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.495 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m -132.14 119.21 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -149.66 152.7 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.7 171.99 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -129.71 120.38 25.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -162.77 160.86 25.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 177.56 14.93 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -101.61 164.87 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -117.62 144.41 34.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.7 p-80 -73.13 143.54 47.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER 39.23 29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' HIS . 54.9 t -145.04 141.06 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.6 t -121.73 108.6 34.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 14' ' ' VAL . 53.7 Cg_endo -69.77 166.49 27.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' SER . 4.3 pp -87.91 153.28 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' HD12 ' A' ' 16' ' ' LEU . 75.0 m -62.29 152.88 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -63.42 135.82 96.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.71 138.69 38.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.68 158.06 88.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.72 141.48 45.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.73 2.286 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.83 142.99 49.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.211 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 t -89.1 152.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.883 HG21 HG11 ' A' ' 109' ' ' VAL . 21.8 t -105.96 110.09 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.38 -87.76 0.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -76.67 126.21 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 112' ' ' THR . 59.8 t -113.83 107.77 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -117.07 150.53 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' THR . 25.0 p80 -74.77 6.83 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -134.46 5.67 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -175.06 171.17 3.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.6 HD13 HG23 ' A' ' 109' ' ' VAL . 82.6 mt -144.9 117.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 38.3 tt0 -86.06 143.81 27.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 24' ' ' VAL . 10.2 mt -139.38 151.12 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 52.8 p90 -152.44 115.56 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 41.4 p90 -112.39 38.95 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' HD22 ' A' ' 38' ' ' LEU . 7.6 p-10 -81.91 27.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.702 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.3 mm? -106.0 -7.3 18.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 mp0 -97.16 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 HE22 ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -78.84 42.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -86.58 70.21 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -136.64 136.78 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -42.06 134.39 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -82.67 40.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.76 -52.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.95 175.44 10.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 164.75 33.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -64.07 -13.66 48.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -85.01 28.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -128.14 -30.76 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -39.29 154.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.3 mt -93.1 149.43 21.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -86.9 145.0 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -132.66 112.94 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -115.17 117.99 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 69' ' ' ILE . 46.0 mm -97.59 141.18 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 15.5 mt-10 -133.34 153.57 51.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.1 pt-20 -126.93 133.33 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 54.7 tt0 -82.28 159.77 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 2.8 t0 -113.74 124.96 30.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.78 37.4 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.734 2.289 . . . . 0.0 112.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -112.96 -42.22 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mtt -85.7 -7.32 58.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 42.61 38.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -134.21 157.81 45.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -98.35 174.21 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' C ' ' HG2' ' A' ' 57' ' ' GLU . . . -167.17 125.26 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.0 t -62.61 90.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 58' ' ' GLU . 40.2 pt -68.35 -34.56 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 79.9 t80 -143.01 144.13 32.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -151.23 119.13 6.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.34 -150.15 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -118.82 24.86 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.78 165.79 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 77.4 p -112.85 -21.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.97 141.17 36.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 57.0 t60 -158.77 126.17 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 32' ' ' ILE . 2.1 p -118.55 102.38 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 95.5 t -52.24 108.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.49 161.72 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.37 72.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.674 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.0 mt -125.98 155.37 41.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -92.48 152.44 42.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.754 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.85 157.16 61.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 40.48 31.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 88' ' ' TYR . 56.6 m -113.96 139.72 48.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.0 tp -90.31 147.34 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 75.6 m-85 -142.61 126.59 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -99.24 133.09 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 46.6 m-85 -135.71 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 93' ' ' LYS . 12.5 ptt85 -113.9 140.02 48.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.2 tp -104.97 121.52 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 46.7 tttt -111.35 148.01 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -138.22 142.1 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.2 m -133.51 116.63 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -58.54 159.17 12.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.22 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -105.39 -36.2 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.34 -33.95 0.84 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -54.62 151.22 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -157.54 148.72 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 16' ' ' LEU . 3.5 mm-40 -137.34 -176.53 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -136.71 148.47 47.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -94.75 159.39 33.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 119.86 6.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.2 t -37.93 136.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 107' ' ' VAL . 18.6 m -125.29 102.26 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.604 ' HB2' HD21 ' A' ' 87' ' ' LEU . 88.8 p -86.22 127.86 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 24' ' ' VAL . 18.2 m -133.97 138.76 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.03 126.67 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 32' ' ' ILE . 20.7 p -63.88 178.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HG12 ' A' ' 27' ' ' VAL . 72.4 p -92.03 165.35 13.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -72.25 140.14 48.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 84' ' ' PRO . 72.6 mt-10 -46.83 114.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 t -95.98 101.75 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 48.75 65.93 2.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -9.85 27.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -128.05 129.86 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.4 t -123.9 133.9 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -106.19 96.9 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -165.84 126.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.4 118.4 4.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 6.0 t -138.51 117.35 12.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.84 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.5 m -37.15 -54.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.55 -81.31 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.404 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.89 153.02 43.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -143.29 133.3 12.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 53.4 Cg_endo -69.78 175.67 7.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.676 2.25 . . . . 0.0 112.334 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.7 m-70 -112.49 95.52 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp 52.28 27.0 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 11' ' ' HIS . 92.6 t -140.0 143.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.1 119.68 53.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.47 27.49 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -77.04 161.44 28.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -74.18 164.42 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -77.12 138.27 64.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.1 Cg_endo -69.71 153.56 69.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.63 157.81 46.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.557 0.694 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.5 Cg_endo -69.8 138.17 37.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.3 t -94.55 156.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 109' ' ' VAL . 41.0 t -107.41 107.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.18 -78.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.46 126.18 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 HG23 ' A' ' 112' ' ' THR . 48.0 t -112.69 102.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -112.74 151.81 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' A' ' 112' ' ' THR . 11.2 p80 -78.0 9.53 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -134.47 0.15 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 t -171.92 163.2 6.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 109' ' ' VAL . 82.5 mt -134.51 113.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 25.5 tt0 -82.51 143.48 31.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 77' ' ' HIS . 11.2 mt -140.75 154.04 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 49.8 p90 -152.89 120.21 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.469 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.5 p90 -121.27 35.77 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.793 ' OD1' HG21 ' A' ' 75' ' ' THR . 6.0 t70 -79.2 13.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.8 -33.2 17.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.57 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -69.73 -55.02 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' CD ' ' O ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -83.0 35.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 17.6 mt-10 -150.66 156.16 40.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -68.29 136.58 53.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -97.85 42.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -74.32 -50.8 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.28 178.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 60.0 tt0 -51.3 -36.32 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -50.6 -27.12 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.6 mp0 -96.41 27.63 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.439 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 35.6 m0 -104.51 155.61 18.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 47.8 mt -98.33 150.41 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -99.28 152.82 19.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 92' ' ' LEU . 40.5 m-85 -136.94 120.42 17.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -120.5 117.22 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -98.73 139.28 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 24.2 mt-10 -132.71 146.21 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 69' ' ' ILE . 1.7 pp20? -122.36 138.57 54.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -87.6 151.01 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 7.7 m-20 -117.1 134.39 23.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.18 28.95 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -91.84 -31.97 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' HIS . 1.9 mtt -103.42 -1.09 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER 34.7 37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -140.39 160.83 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -96.37 157.99 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.35 128.78 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 94.7 t -60.07 86.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 70' ' ' TYR . 47.4 pt -67.9 -34.11 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.1 t80 -142.71 143.55 32.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 124.34 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.32 -148.18 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -120.87 23.82 10.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.29 173.34 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.793 HG21 ' OD1' ' A' ' 37' ' ' ASP . 67.8 p -120.28 -30.6 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -94.44 136.36 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 47.7 t60 -153.7 134.11 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.2 p -128.45 103.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.742 HG21 ' CE1' ' A' ' 90' ' ' PHE . 97.0 t -56.81 110.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.74 167.32 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.516 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 60.54 74.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 55.6 mt -131.34 165.29 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -104.59 156.46 35.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.426 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 54.2 Cg_endo -69.71 139.66 40.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.4 48.63 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -127.39 129.65 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.865 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.1 tm? -78.1 140.3 39.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.826 ' N ' HD13 ' A' ' 87' ' ' LEU . 61.3 m-85 -139.73 113.04 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HG3' HD11 ' A' ' 87' ' ' LEU . 46.8 mttt -87.6 139.83 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 79' ' ' VAL . 61.1 m-85 -140.3 136.19 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 10.8 ptm180 -113.16 129.79 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.7 tp -91.58 118.09 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -105.84 149.43 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.566 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -144.54 144.93 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.3 m -135.63 115.72 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.6 m -57.39 157.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.721 0.772 . . . . 0.0 110.806 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 t -104.92 -31.04 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.6 -33.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -59.4 155.88 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.2 p90 -157.23 153.08 26.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 15.3 mm-40 -137.82 -175.78 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 39.9 m-85 -141.07 145.24 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -93.02 162.69 27.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.7 119.69 6.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -38.5 136.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.4 m -122.61 102.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.865 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.4 p -86.28 124.4 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 24' ' ' VAL . 9.0 m -131.18 130.07 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.92 121.63 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.445 HG22 ' CG1' ' A' ' 32' ' ' ILE . 37.2 p -56.44 179.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.705 HG23 HG12 ' A' ' 27' ' ' VAL . 25.2 p -94.78 168.25 10.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -76.75 143.26 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 24.0 mp0 -40.8 141.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.6 p -53.39 -43.98 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.8 147.09 17.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 123.7 10.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.7 m -98.57 175.25 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 t -78.84 162.73 25.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -145.71 124.84 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -155.71 147.75 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.98 151.5 5.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -123.7 160.6 26.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -118.76 117.83 29.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 tpp -110.55 90.4 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -124.94 147.41 56.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 165.24 31.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 13' ' ' VAL . 3.5 p-80 -57.39 -175.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 13' ' ' VAL . 5.4 ptmt -34.19 -39.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.594 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 4.1 p -129.83 147.27 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 14' ' ' VAL . 13.2 p -80.73 122.6 82.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 166.74 26.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -66.4 169.41 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -86.34 161.79 18.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -65.09 136.6 96.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.3 Cg_endo -69.7 149.08 66.77 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.378 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -79.03 157.17 76.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.0 Cg_endo -69.78 140.62 43.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.79 140.52 42.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.658 HG11 ' OH ' ' A' ' 35' ' ' TYR . 16.5 t -81.91 151.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 71.6 t -115.41 97.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.63 -79.67 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.86 136.97 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 24' ' ' VAL . 49.8 t -127.15 101.4 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.572 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 11.7 p -102.31 153.86 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.6 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 8.7 p80 -74.37 4.13 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.572 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 4.1 p-80 -123.33 -17.03 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -157.69 176.49 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.725 HD13 HG23 ' A' ' 109' ' ' VAL . 87.6 mt -138.5 125.73 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.631 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.9 tt0 -80.3 142.61 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 22' ' ' PRO . 30.6 mt -144.86 138.41 26.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.658 ' OH ' HG11 ' A' ' 23' ' ' VAL . 27.4 p90 -152.4 121.9 6.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 46.0 p90 -122.64 30.21 6.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' HG21 ' A' ' 75' ' ' THR . 36.1 t0 -76.81 43.14 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.19 -33.39 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.537 ' HG2' ' NE2' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -66.89 -77.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.602 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -38.18 -47.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' C ' ' O ' ' A' ' 40' ' ' GLN . 27.9 mttt 18.94 54.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' GLN . 53.8 tt0 -134.71 148.62 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.74 132.68 48.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -73.5 -7.5 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ARG . 33.7 mm-40 -36.76 101.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.73 -171.73 23.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 165.58 30.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.62 -37.62 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.83 -16.76 4.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -94.53 21.82 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -101.43 166.0 10.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.61 148.72 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -95.12 140.11 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.79 113.04 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.97 133.73 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.545 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 17.0 mm -105.23 140.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 1.5 mp0 -128.24 171.69 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -145.32 152.16 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 18.9 tt0 -97.43 146.58 25.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 8.4 m-20 -102.55 125.15 36.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -29.95 23.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.86 -36.77 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.465 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 52.2 mtp -87.23 -24.09 24.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASP . 20.3 m-70 60.81 26.0 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 176.75 7.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 36.9 m-85 -117.87 167.54 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.94 120.83 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.67 105.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 pt -81.45 -31.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 86.2 t80 -138.29 141.11 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -147.36 118.24 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.63 -152.16 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -123.26 24.59 8.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.06 179.37 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 18.3 p -119.81 -19.14 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.8 ttm180 -103.57 162.77 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 83.6 t60 -170.45 149.12 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 33' ' ' GLU . 74.5 t -140.29 114.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 93.7 t -75.11 111.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -92.45 164.96 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.8 66.4 2.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 56.5 mt -124.68 163.69 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -103.31 155.29 36.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.7 134.72 28.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 57.06 51.12 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.5 m -130.89 134.5 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.807 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.2 tm? -81.08 138.59 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.663 ' H ' HD22 ' A' ' 87' ' ' LEU . 52.4 m-85 -136.8 112.39 9.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.0 mttt -87.09 137.62 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 107' ' ' VAL . 64.9 m-85 -139.39 138.82 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 4.9 ptm85 -117.2 129.11 55.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 93' ' ' LYS . 10.3 tp -91.34 131.96 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.552 ' N ' HD12 ' A' ' 92' ' ' LEU . 30.7 tttt -117.04 147.59 42.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -139.88 143.32 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 101' ' ' TYR . 38.4 m -132.33 107.84 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 100' ' ' GLU . 3.6 p -46.91 154.81 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.35 2.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -108.51 -31.48 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.27 -32.31 1.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' SER . 26.8 mm-40 -58.26 152.04 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.5 p90 -158.01 144.15 17.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mm-40 -132.46 -174.7 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -135.12 145.09 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.442 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.3 p -93.94 159.86 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.752 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.88 7.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.1 t -39.52 138.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.5 m -122.49 102.96 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.807 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.0 p -85.41 119.76 26.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 27.9 m -128.66 132.2 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.27 124.48 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 p -61.77 -174.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 47.6 p -104.74 -179.34 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -73.57 155.08 39.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.6 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 12.7 pt-20 -91.05 145.86 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -104.24 51.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.69 161.34 14.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.16 59.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.6 t -79.18 -47.57 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m -116.49 -45.91 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -164.35 143.74 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -159.79 170.06 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 107.82 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -135.7 158.13 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -165.26 160.06 18.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.57 168.71 31.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mtt -96.45 -43.99 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -159.09 150.14 16.26 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.611 0.72 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.72 5.27 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' LYS . 58.7 t60 -50.7 173.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -35.21 -45.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 146.11 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.6 p -77.25 124.03 87.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.57 27.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.63 157.08 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -58.08 137.62 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -59.34 136.93 88.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.71 150.39 68.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.382 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.51 161.96 43.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.16 41.97 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.569 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.4 Cg_endo -69.75 140.94 43.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.612 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.2 t -87.17 159.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 HG11 ' A' ' 109' ' ' VAL . 89.9 t -120.42 97.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.1 -78.83 0.52 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -88.62 134.26 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 27' ' ' VAL . 6.4 p -122.89 98.1 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -95.45 154.14 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 30.0 p80 -75.17 5.39 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -125.3 -12.25 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.703 ' HA ' HD12 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -165.08 172.01 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 109' ' ' VAL . 75.4 mt -130.3 127.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 78' ' ' VAL . 20.4 tt0 -82.92 135.61 34.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' HB2' ' A' ' 22' ' ' PRO . 21.2 mt -138.44 142.49 39.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.612 ' OH ' HG11 ' A' ' 23' ' ' VAL . 25.3 p90 -152.06 123.14 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' LEU . 36.5 p90 -111.31 17.96 19.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -38.99 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.724 ' H ' HD22 ' A' ' 38' ' ' LEU . 3.0 mm? -45.81 -47.58 15.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 3.0 mm-40 -48.89 -68.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.586 ' NE2' HG22 ' A' ' 75' ' ' THR . 0.2 OUTLIER -76.56 105.01 7.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -114.13 -50.99 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.86 129.39 37.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -43.37 151.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.97 141.73 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -104.32 -61.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.76 -165.05 32.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLN . 53.6 Cg_endo -69.72 156.55 63.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 40.5 tt0 -35.3 -46.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 12.6 pt-20 -51.71 -44.84 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' PRO . 45.5 mm-40 -55.41 -35.93 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.501 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 36.4 m0 -36.68 154.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 96' ' ' SER . 10.1 mt -90.81 152.09 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -95.87 149.51 21.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CE2' ' NE2' ' A' ' 40' ' ' GLN . 68.8 m-85 -137.65 118.14 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 p -112.08 139.82 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -121.99 113.03 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 24.4 mt-10 -106.29 162.78 13.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 69' ' ' ILE . 7.2 pt-20 -129.3 140.24 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -85.97 156.67 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 13.7 m-20 -118.77 130.12 25.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -21.56 32.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -105.65 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.443 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 20.8 mmt -81.64 -19.49 41.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 50.88 33.94 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -132.01 159.36 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 91' ' ' ARG . 90.3 m-85 -96.02 146.77 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.71 127.12 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 34.9 t -62.13 96.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 58' ' ' GLU . 20.8 pt -80.05 -29.24 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -142.72 145.39 33.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -151.9 111.15 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.57 -154.92 8.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.87 25.09 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.56 -174.78 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.586 HG22 ' NE2' ' A' ' 40' ' ' GLN . 61.7 p -118.85 -37.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 19.6 ttp-105 -93.16 156.84 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 53.5 t60 -165.58 108.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 33' ' ' GLU . 50.9 t -95.23 96.23 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 82' ' ' LEU . 56.0 t -53.97 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.63 163.07 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 66.65 74.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' SER . 89.7 mt -137.48 172.68 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -116.65 152.93 48.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 146.37 60.05 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 55.1 28.85 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.639 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.4 m -113.68 137.76 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.4 tp -89.93 146.89 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CE1' HG22 ' A' ' 86' ' ' THR . 54.9 m-85 -142.35 132.54 24.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 29.8 mttm -101.51 135.28 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.7 m-85 -137.72 141.94 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 66' ' ' TYR . 3.1 ptm85 -120.75 140.0 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 tp -102.78 130.88 49.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 15.4 tttt -118.12 156.07 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -146.55 138.21 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.3 m -131.76 118.74 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 2.6 m -64.54 159.25 61.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 3.26 2.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.6 m -106.98 -33.18 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.79 -32.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.68 153.25 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -157.46 156.55 32.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 mm-40 -144.36 173.92 11.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 28.4 m-85 -131.63 140.93 49.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.402 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.3 p -93.0 159.71 35.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.76 120.37 7.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -44.62 136.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.569 HG21 ' HG2' ' A' ' 22' ' ' PRO . 11.2 m -121.58 113.33 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.6 p -90.15 131.5 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.966 HG11 HG21 ' A' ' 24' ' ' VAL . 15.3 m -138.06 141.87 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.39 123.01 49.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.555 HG22 ' CG1' ' A' ' 32' ' ' ILE . 18.9 p -62.45 -173.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 40.1 p -104.45 157.88 16.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -64.28 143.3 57.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.526 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 13.7 mt-10 -56.93 161.6 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.5 t -107.99 158.02 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 167.62 -114.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.58 37.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.1 p -59.09 102.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.7 t -79.83 -56.13 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -133.24 167.38 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -75.31 117.48 17.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.7 -128.39 4.66 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -154.76 161.48 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -121.4 135.67 55.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.92 -167.11 32.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 tpp -164.25 147.92 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -118.49 151.92 50.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.59 37.71 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -79.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.4 -38.89 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.93 134.92 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.31 127.53 26.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.46 27.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.763 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -81.56 169.02 17.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.4 p -53.9 129.26 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -53.92 136.9 56.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.5 Cg_endo -69.78 138.45 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.304 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.417 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -73.98 159.21 84.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.865 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.4 Cg_endo -69.79 142.34 47.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.75 146.15 59.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.526 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 5.8 t -89.64 154.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.94 HG21 HG11 ' A' ' 109' ' ' VAL . 65.1 t -115.0 96.63 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.5 -78.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -90.72 131.72 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG22 HG23 ' A' ' 112' ' ' THR . 3.0 p -123.04 119.28 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.64 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 10.6 p -121.59 158.25 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.1 p80 -75.76 1.13 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.64 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 5.0 p-80 -117.37 -26.51 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.786 ' HA ' HD12 ' A' ' 82' ' ' LEU . 39.5 p -155.08 170.92 20.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 109' ' ' VAL . 95.4 mt -132.75 130.66 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.13 141.59 30.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' HG22 ' A' ' 24' ' ' VAL . 56.7 mt -144.44 130.77 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 44.8 p90 -140.63 123.73 16.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.1 p90 -123.7 34.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.15 9.29 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.0 mt -72.72 -35.08 67.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -68.35 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.745 ' NE2' ' CE2' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.89 109.78 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -123.65 -44.78 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -50.01 145.75 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 118.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' HD3' ' CD2' ' A' ' 51' ' ' TRP . 54.6 mtt85 -65.78 81.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -80.66 -51.3 8.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.88 -175.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 13.0 tt0 -47.15 -41.2 17.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.89 -32.39 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' CD ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -83.67 29.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.529 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 36.9 m0 -103.93 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 14.2 mt -86.96 146.99 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -100.34 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.745 ' CE2' ' NE2' ' A' ' 40' ' ' GLN . 80.5 m-85 -135.58 116.66 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -119.25 125.18 48.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.66 144.62 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 36.8 mt-10 -137.31 146.99 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -124.62 138.88 54.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 64.0 tt0 -88.61 143.13 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 129.72 24.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -98.83 -35.97 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 65' ' ' SER . 13.5 mmt -100.05 3.24 44.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 34.2 34.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.1 m -133.26 162.61 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CD2' ' HD3' ' A' ' 91' ' ' ARG . 83.4 m-85 -97.71 167.48 10.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.41 132.01 3.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -65.93 89.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -32.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.8 t80 -142.87 143.65 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 t -152.05 115.97 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.73 -151.96 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.62 27.12 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 -176.98 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.5 p -118.52 -37.98 3.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.2 ttt-85 -84.52 159.36 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 67.1 t60 -167.18 122.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.57 103.55 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.509 ' CG1' HD21 ' A' ' 82' ' ' LEU . 93.9 t -66.21 110.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -89.36 175.06 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 53.69 74.97 0.25 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 31' ' ' SER . 93.7 mt -131.14 167.29 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -107.14 153.37 41.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 135.11 29.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 56.92 43.9 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 m -122.94 138.82 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -85.09 143.48 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 87' ' ' LEU . 56.2 m-85 -142.11 113.82 7.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.8 mttm -89.29 137.5 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 107' ' ' VAL . 56.5 m-85 -136.8 146.18 45.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.594 ' HD3' ' CD2' ' A' ' 66' ' ' TYR . 7.4 ptt180 -122.52 131.0 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 20' ' ' HIS . 16.4 tp -91.43 121.42 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -108.01 147.99 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -144.75 146.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.54 HG23 ' HB3' ' A' ' 101' ' ' TYR . 25.4 m -136.83 113.46 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' GLU . 4.6 p -49.92 155.59 1.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 5.34 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.7 m -112.34 -33.01 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.19 -37.42 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.642 ' HB3' HD13 ' A' ' 16' ' ' LEU . 6.5 mm-40 -54.09 156.35 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.54 ' HB3' HG23 ' A' ' 95' ' ' THR . 29.8 p90 -158.77 163.0 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mm-40 -151.57 -175.06 5.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 38.3 m-85 -142.45 145.61 33.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.445 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -91.68 162.74 30.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.77 121.4 8.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' PRO . 84.0 t -36.45 136.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 m -122.18 103.27 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 87' ' ' LEU . 20.4 p -88.32 127.45 35.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.94 HG11 HG21 ' A' ' 24' ' ' VAL . 16.9 m -136.11 136.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.36 123.94 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -61.58 179.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.601 HG23 HG22 ' A' ' 27' ' ' VAL . 31.3 p -94.63 174.28 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLU . 14.8 ptt180 -80.81 140.67 35.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 15.4 mt-10 -36.62 136.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.3 t -104.41 114.43 28.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.09 113.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -18.81 36.47 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -70.9 128.49 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -99.63 -48.95 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -151.97 171.8 17.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 0.0 110.805 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -97.44 109.53 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 123.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -112.41 81.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -149.48 131.28 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 76.14 0.29 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 mmt -58.31 -53.11 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -146.4 140.64 15.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.416 ' HG3' HG22 ' A' ' 14' ' ' VAL . 53.6 Cg_endo -69.74 -179.46 2.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 1.3 p80 -87.75 -73.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 -34.77 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.36 139.13 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG22 ' HG3' ' A' ' 10' ' ' PRO . 97.8 t -82.68 130.68 57.46 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.43 27.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.1 pp -66.34 158.31 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -75.3 131.41 40.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -45.59 139.17 4.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 173.61 10.72 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -109.3 159.49 31.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.82 142.24 47.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.355 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 156.73 62.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.686 HG11 ' OH ' ' A' ' 35' ' ' TYR . 50.9 t -94.28 149.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.951 HG21 HG11 ' A' ' 109' ' ' VAL . 55.6 t -108.41 97.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -77.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 57.5 tttt -90.8 129.37 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.0 p -124.98 104.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.442 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 20.2 p -104.45 175.86 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 13.8 p80 -92.6 9.38 34.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 4.2 p80 -124.49 -27.37 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.6 m -153.65 173.66 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD13 HG23 ' A' ' 109' ' ' VAL . 73.7 mt -130.74 130.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -88.25 135.99 33.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 41.9 mt -140.84 133.28 28.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.686 ' OH ' HG11 ' A' ' 23' ' ' VAL . 53.2 p90 -140.67 127.71 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -127.8 36.15 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.48 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 38.8 p30 -77.61 16.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.93 -36.08 25.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 20' ' ' HIS . 5.1 mm-40 -67.27 -65.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.84 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -78.03 43.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -77.63 -50.98 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.69 -178.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -54.12 -177.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' HG2' ' CZ2' ' A' ' 51' ' ' TRP . 1.6 mpp_? -100.98 -27.26 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 55.33 37.69 29.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.36 -179.52 21.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 170.76 15.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.305 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 58.6 tt0 -49.61 -38.58 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.58 -30.78 65.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -89.47 28.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.473 ' CZ2' ' HG2' ' A' ' 44' ' ' ARG . 34.2 m0 -102.33 166.42 10.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mp -87.38 149.37 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 54' ' ' PHE . 15.4 tpp180 -88.84 150.71 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 23.3 m-85 -139.85 112.1 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m -120.18 130.0 54.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 92' ' ' LEU . 33.1 mm -108.8 134.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 mt-10 -128.28 149.76 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 2.2 pp20? -123.69 138.23 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 25.6 tt0 -89.24 143.26 26.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.28 129.85 24.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.98 36.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -101.63 -33.68 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 14.2 mtt -96.71 2.37 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 34.02 35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 7.0 t -140.09 162.58 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 43.0 m-85 -98.11 170.21 9.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.18 129.66 2.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 87.8 t -64.41 92.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.0 pt -73.3 -32.83 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.3 t80 -142.98 143.89 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -151.84 125.16 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.33 -150.33 12.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 2.5 m-85 -121.1 28.58 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.83 -176.39 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.566 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 37.1 p -125.42 -39.24 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.595 HH21 HG21 ' A' ' 78' ' ' VAL . 36.2 ttt180 -90.06 152.07 21.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 72.0 t60 -162.5 117.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 HH21 ' A' ' 76' ' ' ARG . 40.2 t -106.54 105.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.6 t -65.14 106.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.22 171.68 9.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.62 60.36 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 82.2 mt -123.95 162.69 22.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -106.09 157.06 35.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.459 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 56.91 39.47 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.3 m -117.34 133.32 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.4 tm? -82.82 142.45 31.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.718 ' N ' HD13 ' A' ' 87' ' ' LEU . 57.5 m-85 -142.68 112.76 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 43.5 mttt -89.89 131.28 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 70.1 m-85 -130.09 151.61 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' NE ' ' CD2' ' A' ' 103' ' ' TYR . 2.5 ptm85 -129.89 129.46 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 20' ' ' HIS . 13.1 tp -91.34 126.55 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 21.3 tttt -116.03 143.96 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.25 145.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 53' ' ' ARG . 61.8 m -132.83 113.54 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' GLU . 85.7 p -53.44 153.79 6.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.745 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 12.05 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 96' ' ' SER . 5.4 t -117.43 -27.68 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.86 -30.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' SER . 13.0 mt-10 -60.2 153.73 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -157.58 166.41 32.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HB2' HD11 ' A' ' 16' ' ' LEU . 25.6 mm-40 -157.45 -175.56 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 14.0 m-85 -137.35 146.77 44.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.433 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.87 163.98 22.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.232 . . . . 0.0 112.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.7 t -40.17 134.44 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.8 m -120.73 102.52 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.83 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -83.93 127.85 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 24' ' ' VAL . 29.7 m -137.01 131.73 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.28 125.64 43.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.3 p -60.75 -179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 49.8 p -96.61 -179.44 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.92 161.79 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.517 ' HA ' ' CG ' ' A' ' 29' ' ' HIS . 2.9 mp0 -66.55 95.45 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 9.6 t 36.53 43.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.68 -157.5 20.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 133.23 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.6 t -133.34 109.1 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.3 p -63.43 134.34 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -164.87 150.59 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -169.34 170.1 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.13 107.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -123.43 42.51 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p -169.99 173.61 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.81 131.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.6 tpp -101.65 124.54 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -134.32 131.87 20.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.16 17.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 110.66 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt 57.9 40.18 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -170.29 134.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' VAL . 3.6 p -109.48 109.67 60.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 166.48 27.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 94' ' ' VAL . 1.2 pt? -76.63 160.53 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -62.17 170.36 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -87.74 137.39 31.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.609 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -99.68 157.8 33.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.842 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.3 Cg_endo -69.78 138.64 38.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.73 140.87 43.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 t -85.85 151.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 60.8 t -110.73 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.61 -85.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -85.03 130.94 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG22 HG23 ' A' ' 112' ' ' THR . 7.1 p -120.44 116.74 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.2 p -118.23 164.44 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -83.1 6.57 18.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -124.56 -18.86 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.606 ' HA ' HD12 ' A' ' 82' ' ' LEU . 15.0 m -158.25 -179.71 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 ' CG2' ' A' ' 111' ' ' THR . 72.2 mt -143.7 126.27 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -82.26 138.93 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -144.57 133.24 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.8 p90 -140.95 119.73 12.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 43.5 p90 -114.01 38.52 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HG21 ' A' ' 75' ' ' THR . 13.5 t70 -81.44 26.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -98.72 -4.99 32.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.2 mt-10 -100.14 -42.05 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' NE2' ' OD2' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -95.27 29.62 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -55.71 -55.27 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -46.4 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -55.81 176.2 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -108.26 89.12 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -42.17 130.7 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.74 -161.85 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -166.24 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 28.9 tt0 -70.51 -22.06 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.92 -21.65 66.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -100.5 29.32 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.403 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 35.5 m0 -102.1 161.96 13.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD23 ' HD3' ' A' ' 97' ' ' PRO . 19.2 mt -92.84 153.0 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.8 148.49 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -138.28 112.07 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -113.14 133.65 54.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.641 HG22 HD11 ' A' ' 69' ' ' ILE . 25.1 mm -108.07 121.03 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -115.7 173.64 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.4 tp10 -153.18 155.49 36.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 33.3 tt0 -80.52 152.8 28.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 6.3 m-20 -113.44 116.84 45.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.42 30.92 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -99.06 -26.82 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.493 ' C ' ' CG ' ' A' ' 64' ' ' HIS . 33.8 mmt -105.01 -4.94 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' CG ' ' C ' ' A' ' 63' ' ' MET . 0.7 OUTLIER 43.37 37.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -148.32 168.26 23.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 59' ' ' GLU . 2.9 m-85 -106.32 160.85 15.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 57' ' ' GLU . . . -145.42 -124.13 1.65 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' C ' ' A' ' 67' ' ' GLY . 96.3 t -157.25 106.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 56' ' ' ILE . 17.6 pt -85.5 -32.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.0 t80 -143.18 146.15 33.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.77 105.35 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.58 -164.14 24.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -103.12 -8.24 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.61 163.27 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.51 HG21 ' OD2' ' A' ' 37' ' ' ASP . 49.1 p -107.9 -26.27 10.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 51.0 ttp180 -101.74 153.0 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.0 t60 -163.7 109.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.1 t -96.79 101.14 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 58.3 t -59.68 105.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.3 172.03 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.88 75.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 31' ' ' SER . 96.0 mt -134.59 158.68 43.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -99.19 153.53 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.93 52.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.612 2.208 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 49.5 52.7 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 m -134.09 127.75 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.92 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.7 tm? -69.94 142.27 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.92 ' N ' HD13 ' A' ' 87' ' ' LEU . 46.9 m-85 -140.44 112.98 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HG3' HD11 ' A' ' 87' ' ' LEU . 38.0 mttm -89.2 135.83 33.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 60.3 m-85 -137.83 129.05 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' HD3' ' CD ' ' A' ' 57' ' ' GLU . 2.1 ptm180 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.1 tp -90.65 129.39 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.0 tttt -112.41 153.58 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.9 m -146.3 138.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.5 m -132.81 113.85 13.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -58.1 158.6 13.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.673 0.749 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.607 ' HD3' HD23 ' A' ' 52' ' ' LEU . 54.0 Cg_endo -69.77 0.97 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 t -102.13 -32.16 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.22 -27.18 2.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.96 153.0 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HB3' HG23 ' A' ' 95' ' ' THR . 54.8 p90 -155.61 143.33 19.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 27.2 mm-40 -130.97 174.98 9.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 27.5 m-85 -128.68 141.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.27 160.72 34.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.626 0.726 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.2 Cg_endo -69.69 114.86 3.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.404 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 10.3 p -41.48 138.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.2 m -121.46 103.0 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.863 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -79.99 122.07 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 16.8 m -131.31 127.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.1 124.12 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.5 ' CG2' HD11 ' A' ' 32' ' ' ILE . 71.7 p -58.7 178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.685 HG23 HG22 ' A' ' 27' ' ' VAL . 58.2 p -92.6 178.03 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -93.9 136.36 34.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -47.08 165.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -130.22 118.79 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.44 -166.9 38.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.76 9.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 m -74.34 -61.11 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.0 m -68.2 -59.18 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -72.2 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -165.49 112.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.68 96.71 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -174.83 119.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.363 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -129.67 152.53 49.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.47 96.02 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -131.22 42.14 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.704 0.288 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.12 153.44 39.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.8 179.4 3.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.62 2.213 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -92.38 -68.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -24.39 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' PRO . 86.8 t -84.71 136.7 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.24 115.41 15.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.25 28.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -69.45 176.64 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -62.12 139.31 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 135.08 95.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.73 148.73 65.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -87.6 158.86 50.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.815 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.4 Cg_endo -69.75 139.3 39.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.78 141.28 44.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 35' ' ' TYR . 5.0 t -85.89 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.922 HG21 HG11 ' A' ' 109' ' ' VAL . 48.7 t -108.51 108.31 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.43 -83.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -82.25 125.99 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG12 HG23 ' A' ' 112' ' ' THR . 41.0 t -112.51 90.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -103.38 146.56 28.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.741 ' CD2' ' CE1' ' A' ' 30' ' ' HIS . 23.4 p-80 -71.59 2.72 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.741 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 64.1 m80 -119.14 -26.01 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.27 174.94 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.796 HD11 HG22 ' A' ' 111' ' ' THR . 85.0 mt -143.58 111.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 26.2 tt0 -83.18 147.87 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 24' ' ' VAL . 7.3 mt -144.45 154.13 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 23' ' ' VAL . 46.9 p90 -152.38 117.54 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CH2' HG13 ' A' ' 56' ' ' ILE . 40.7 p90 -116.12 40.21 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.685 ' OD1' HG21 ' A' ' 75' ' ' THR . 1.9 t70 -79.66 14.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -88.27 14.03 10.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -121.43 -65.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' C ' ' CD ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -79.37 41.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 22.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -100.52 149.58 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -51.62 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -123.48 46.97 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' ARG . 15.9 mt-30 -36.63 -49.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.24 -179.26 48.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 173.64 10.7 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.465 ' HA ' ' NE1' ' A' ' 51' ' ' TRP . 37.8 tt0 -55.03 -39.91 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -51.1 -21.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -92.43 25.93 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.465 ' NE1' ' HA ' ' A' ' 48' ' ' GLN . 34.9 m0 -97.96 161.33 13.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.72 140.99 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -86.43 148.94 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' HD11 ' A' ' 92' ' ' LEU . 31.7 m-85 -137.05 112.02 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -112.88 121.14 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.521 HG13 ' CH2' ' A' ' 36' ' ' TRP . 36.2 mm -102.42 132.78 47.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 28.9 mt-10 -123.38 157.8 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.79 134.71 48.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 45.3 tt0 -95.48 156.99 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -114.3 130.65 23.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.86 37.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.82 -35.29 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 5.0 mtt -95.59 -5.71 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 39.94 31.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -125.67 157.29 37.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 38.1 m-85 -102.13 171.03 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.09 124.63 1.27 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.546 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.497 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 88.1 t -59.66 102.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -82.9 -31.74 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 85.2 t80 -141.71 144.44 34.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -150.68 112.32 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.57 7.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.49 22.34 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.41 179.4 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.685 HG21 ' OD1' ' A' ' 37' ' ' ASP . 43.0 p -122.57 -38.86 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -86.38 143.06 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.8 t60 -159.58 125.5 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG23 ' C ' ' A' ' 32' ' ' ILE . 3.4 p -121.24 101.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.903 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 61.3 t -49.03 103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -79.29 151.81 30.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 67.43 83.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CG1' ' A' ' 79' ' ' VAL . 85.0 mt -136.39 158.78 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.44 150.72 37.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.73 142.74 48.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 56.43 44.51 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.5 m -128.49 135.53 49.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -80.22 143.06 34.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.86 ' N ' HD13 ' A' ' 87' ' ' LEU . 65.3 m-85 -141.04 113.81 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HG3' HD11 ' A' ' 87' ' ' LEU . 67.0 mttt -87.44 136.67 32.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.903 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 25.4 m-85 -137.03 134.21 36.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 8.1 ptt85 -118.28 143.12 46.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 54' ' ' PHE . 19.5 tp -108.29 121.02 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 48.8 tttt -113.02 145.08 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.8 m -134.22 143.05 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.1 m -133.88 112.65 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 16' ' ' LEU . 2.6 p -55.69 155.76 10.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.86 2.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -106.43 -30.94 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.98 -33.45 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.781 ' HB3' HD13 ' A' ' 16' ' ' LEU . 7.6 mm-40 -60.45 151.94 26.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 95' ' ' THR . 50.0 p90 -158.85 157.54 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -140.79 -174.97 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -139.12 140.55 37.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.1 p -92.45 161.03 33.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.702 0.763 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.78 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 8.1 p -44.3 134.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 22' ' ' PRO . 5.3 m -116.0 102.45 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.901 ' HB2' HD21 ' A' ' 87' ' ' LEU . 16.2 p -82.77 125.38 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.922 HG11 HG21 ' A' ' 24' ' ' VAL . 8.9 m -134.82 127.73 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.5 122.24 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.796 HG22 HD11 ' A' ' 32' ' ' ILE . 5.8 p -57.44 171.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.591 HG23 HG12 ' A' ' 27' ' ' VAL . 69.7 p -87.88 -177.29 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -95.68 136.66 35.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.1 mp0 -47.75 108.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -75.06 -32.16 61.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -139.24 -178.06 16.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.46 59.91 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.7 m -66.48 167.7 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.3 m -102.42 40.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.2 t 68.86 42.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' SER . 12.3 t -36.97 -61.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.12 -175.45 24.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -142.29 148.31 37.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -157.08 159.09 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.36 62.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.58 120.86 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.69 0.281 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 9.1 tt0 -129.44 143.36 48.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.8 Cg_endo -69.78 173.85 10.4 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -57.05 -179.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -45.14 -27.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -84.98 141.8 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -99.33 112.14 62.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.42 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 16' ' ' LEU . 4.5 pp -65.7 161.98 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 74.6 m -65.34 141.59 58.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -62.13 137.66 95.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.29 37.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -76.28 161.68 74.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.46 42.94 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.356 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.48 57.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.634 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.3 t -89.17 157.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 109' ' ' VAL . 97.4 t -116.71 105.57 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.57 -77.0 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.19 131.48 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 112' ' ' THR . 60.7 t -118.32 99.17 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 3.7 p -102.72 149.54 24.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 19.2 p80 -74.68 5.24 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 11.2 p80 -124.04 -12.58 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -162.14 178.48 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 109' ' ' VAL . 93.1 mt -139.3 123.74 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 78' ' ' VAL . 25.2 tt0 -82.29 137.03 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.66 137.78 32.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.634 ' OH ' HG11 ' A' ' 23' ' ' VAL . 34.4 p90 -145.05 120.72 10.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' LEU . 37.6 p90 -109.28 13.73 24.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TRP . 2.1 p30 -37.54 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.767 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -42.03 -51.98 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 4.7 mm-40 -46.03 -70.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.598 ' NE2' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -66.45 -76.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 40' ' ' GLN . 4.6 mmmt 32.51 48.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' LYS . 16.9 tt0 -157.37 149.55 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.6 pttt -34.39 132.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -84.89 51.44 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 160.1 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.82 167.86 7.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 170.32 16.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 11.2 tm0? -57.49 -36.48 71.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.13 -19.33 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.29 16.73 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 47.3 m0 -94.24 -175.42 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 40.5 mt -116.95 143.15 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -93.12 137.45 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE2' ' NE2' ' A' ' 40' ' ' GLN . 95.8 m-85 -126.9 123.28 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 69' ' ' ILE . 14.9 mm -99.9 133.76 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 91' ' ' ARG . 4.0 mp0 -124.89 168.83 12.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.5 146.5 38.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.9 tt0 -91.04 147.46 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -108.74 125.79 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.49 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -100.09 -42.96 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mtt -86.05 -12.71 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 48.58 31.01 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -131.49 167.62 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -105.88 153.37 22.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.35 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 99.1 t -68.29 101.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 56' ' ' ILE . 35.2 pt -81.18 -35.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.59 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 68.9 t80 -141.61 144.5 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -150.48 131.27 14.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.43 -148.91 13.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -124.95 25.17 7.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 -179.98 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.497 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 65.6 p -117.81 -39.3 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 59.7 ttp180 -92.44 159.85 15.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 45.3 t60 -164.79 111.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' GLU . 42.4 t -99.89 97.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.542 ' CG1' HD21 ' A' ' 82' ' ' LEU . 58.2 t -55.47 104.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.69 163.8 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 68.36 64.2 3.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.7 mt -125.2 171.32 10.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -112.96 152.46 44.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.4 Cg_endo -69.78 135.69 31.04 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 61.18 41.08 13.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.688 HG22 ' CE1' ' A' ' 88' ' ' TYR . 22.8 m -124.73 141.99 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.08 147.08 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.688 ' CE1' HG22 ' A' ' 86' ' ' THR . 59.3 m-85 -142.09 136.43 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 22.6 mttm -107.8 136.47 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 35.7 m-85 -139.97 142.77 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' OE1' ' A' ' 57' ' ' GLU . 7.2 ptm180 -119.16 128.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 tp -90.55 131.53 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -125.4 154.83 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.48 152.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 101' ' ' TYR . 27.7 m -139.1 114.11 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 p -56.77 156.7 11.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.4 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -110.1 -32.01 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.92 -33.53 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.78 150.19 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.478 ' HB2' ' CE ' ' A' ' 93' ' ' LYS . 49.5 p90 -158.62 149.81 20.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.5 mm-40 -142.42 161.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.629 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 6.8 m-85 -115.04 145.31 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -95.44 160.05 31.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.57 7.33 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 95.2 t -42.84 140.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -124.45 118.3 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -95.92 129.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.918 HG11 HG21 ' A' ' 24' ' ' VAL . 24.2 m -138.08 140.08 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.13 125.68 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.469 HG22 ' CG1' ' A' ' 32' ' ' ILE . 50.0 p -62.92 -174.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.684 HG23 HG12 ' A' ' 27' ' ' VAL . 74.6 p -98.86 177.24 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 113' ' ' ARG . 0.6 OUTLIER -85.18 142.84 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 84' ' ' PRO . 39.8 mt-10 -43.38 108.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 t -73.51 116.5 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.14 -158.42 9.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.552 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 179.25 3.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.6 p -124.28 133.82 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.7 t -38.98 -60.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 p -61.6 161.07 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -78.89 136.75 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.72 153.96 68.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -88.51 156.94 50.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.77 140.4 42.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.3 Cg_endo -69.71 142.45 48.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.408 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.602 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.9 t -87.03 153.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.101 HG21 HG11 ' A' ' 109' ' ' VAL . 58.6 t -109.62 104.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.02 -81.15 0.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -86.0 133.75 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 HG23 ' A' ' 112' ' ' THR . 59.0 t -121.59 109.53 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -111.8 148.84 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.582 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 25.6 p-80 -72.42 2.13 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -126.58 -7.51 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.72 174.02 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' CG1' HG22 ' A' ' 111' ' ' THR . 96.4 mt -141.13 121.37 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.906 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.2 tt0 -83.5 140.97 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 22' ' ' PRO . 22.1 mt -140.75 142.48 34.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.602 ' OH ' HG11 ' A' ' 23' ' ' VAL . 43.2 p90 -149.4 117.86 6.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 38.0 p90 -113.68 41.55 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.95 27.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -110.27 8.04 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 3.7 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.2 m0 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.19 157.79 16.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -98.42 140.63 32.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.14 114.41 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -116.47 125.36 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -105.31 139.43 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CG ' HG22 ' A' ' 68' ' ' VAL . 13.4 mt-10 -129.01 170.27 13.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.0 pt-20 -144.85 139.33 27.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -85.96 148.91 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -105.87 128.3 26.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -18.42 37.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.77 -36.42 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.48 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 32.4 mtm -97.5 1.23 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 36.48 32.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.3 t -128.7 162.7 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 63.7 m-85 -98.66 158.63 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.3 121.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' GLU . 60.1 t -57.71 101.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 58' ' ' GLU . 30.0 pt -78.84 -29.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.457 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.9 t80 -142.09 148.88 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -151.21 113.13 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.189 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.06 -159.2 21.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.0 -7.37 15.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 156.61 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 27.4 p -102.75 -13.85 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.488 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.9 ttm180 -111.46 159.86 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 63.7 t60 -167.01 141.21 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.906 HG22 ' HA ' ' A' ' 33' ' ' GLU . 19.6 t -129.82 109.78 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 73.7 t -64.99 105.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -82.92 154.65 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 70.62 80.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 75.0 mt -135.42 171.85 13.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.7 153.59 49.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 136.57 33.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 62.02 38.96 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.735 HG22 ' CE1' ' A' ' 88' ' ' TYR . 24.0 m -122.74 136.69 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -89.67 148.07 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.735 ' CE1' HG22 ' A' ' 86' ' ' THR . 66.9 m-85 -142.06 133.77 26.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 31.6 m-85 -137.63 139.23 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 12.2 ptm180 -117.03 130.88 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 20' ' ' HIS . 18.4 tp -94.86 123.97 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -113.24 144.95 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.76 148.2 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -136.34 116.28 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -55.57 158.67 5.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 2.77 3.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 m -105.76 -32.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.6 -35.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.53 154.3 6.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -157.84 146.34 19.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 25.7 mm-40 -130.47 -175.03 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -137.24 146.05 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -92.99 157.68 38.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.21 8.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -37.28 136.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 90' ' ' PHE . 2.7 m -124.96 102.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 87' ' ' LEU . 54.0 p -86.75 128.2 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 24' ' ' VAL . 13.8 m -136.37 137.87 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.67 128.1 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.582 HG22 ' CG1' ' A' ' 32' ' ' ILE . 33.9 p -65.78 -179.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.483 HG23 HG12 ' A' ' 27' ' ' VAL . 22.6 p -93.52 169.13 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -78.57 150.8 32.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.582 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 16' ' ' LEU . 78.8 p -79.97 137.09 36.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -54.59 133.49 64.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -85.73 158.42 56.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 110.825 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.8 Cg_endo -69.76 138.53 38.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.18 42.22 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 24' ' ' VAL . 4.8 t -81.59 160.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.075 HG21 HG11 ' A' ' 109' ' ' VAL . 87.1 t -117.69 96.46 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.81 -87.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -83.99 128.05 34.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 27' ' ' VAL . 13.6 p -121.24 105.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.506 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 54.5 p -110.11 174.2 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.59 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 7.2 p-80 -89.71 9.11 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.6 p80 -123.81 -28.43 3.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 82' ' ' LEU . 77.5 p -155.98 165.35 36.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 109' ' ' VAL . 48.4 mt -126.29 127.75 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CG2' ' A' ' 78' ' ' VAL . 8.9 tp10 -83.27 140.03 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 28.4 mt -140.9 131.88 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 50.9 p90 -143.04 118.77 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -117.09 31.75 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.694 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -77.26 41.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 37' ' ' ASP . 1.6 mm? -117.83 -12.98 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.6 m0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.49 161.33 18.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -106.47 148.71 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -134.39 115.74 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -122.82 122.43 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.55 HD11 ' CH2' ' A' ' 36' ' ' TRP . 8.5 mm -99.85 149.6 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 2.3 mp0 -138.56 165.71 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 141.5 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -90.36 158.32 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.5 m-20 -112.8 128.59 25.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -26.5 27.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 63' ' ' MET . 4.8 ptmm? -97.96 -43.55 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.456 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 7.4 mmt -79.1 -35.62 41.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 3.1 m170 72.39 25.35 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -127.59 158.55 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 47.4 m-85 -99.88 155.91 17.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.96 137.14 6.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.12 97.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.2 pt -77.72 -32.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 82.7 t80 -142.65 143.38 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.8 t -151.6 121.45 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.25 -151.97 11.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.84 25.91 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.67 178.97 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 19.2 p -120.53 -29.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 18.8 ttm105 -97.68 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.5 t60 -170.44 107.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.504 ' CG2' ' OE1' ' A' ' 33' ' ' GLU . 57.2 t -91.4 91.83 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.0 t -47.69 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -85.16 170.48 12.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 59.11 79.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 31' ' ' SER . 92.1 mt -137.97 161.92 35.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -106.83 153.7 40.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.657 0.742 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.65 38.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 56.9 46.67 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.2 m -130.18 136.2 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 108' ' ' SER . 1.8 tm? -85.38 141.5 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.3 m-85 -138.66 114.05 9.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.4 mttm -91.21 133.32 35.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 54.3 m-85 -132.29 149.15 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 11.9 ptm180 -124.73 126.92 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 93' ' ' LYS . 14.1 tp -90.81 130.83 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.1 tttt -117.49 149.34 40.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -141.29 145.9 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -142.29 118.55 10.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 159.79 33.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.66 0.743 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.27 2.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 m -103.62 -34.48 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.4 -36.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.86 151.35 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.572 ' HA ' HD21 ' A' ' 16' ' ' LEU . 43.7 p90 -158.45 155.22 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 16' ' ' LEU . 2.7 mm-40 -145.07 -179.83 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -131.23 152.33 50.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.34 159.78 29.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 120.0 6.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.6 t -38.77 137.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 107' ' ' VAL . 12.4 m -127.16 102.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.859 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.1 p -83.99 125.54 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 24' ' ' VAL . 12.6 m -131.6 126.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.01 125.74 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 32' ' ' ILE . 78.2 p -64.54 178.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.0 p -94.56 175.38 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.59 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 14.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 100' ' ' GLU . 2.0 pt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 p -83.71 154.86 23.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -60.97 137.26 93.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.68 150.14 68.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -81.46 158.64 68.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.0 Cg_endo -69.8 136.82 33.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.381 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.63 58.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 24' ' ' VAL . 21.2 t -83.48 155.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.105 HG21 HG11 ' A' ' 109' ' ' VAL . 88.3 t -111.59 110.33 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.74 -97.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -75.34 126.94 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.638 HG12 HG23 ' A' ' 112' ' ' THR . 88.5 t -114.58 98.22 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 4.6 p -104.42 152.03 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.585 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 25.1 p-80 -73.94 3.9 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.9 p80 -124.23 -3.69 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.8 p -175.31 167.73 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 109' ' ' VAL . 96.7 mt -131.68 126.74 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HA ' HG22 ' A' ' 78' ' ' VAL . 38.3 tt0 -86.63 139.01 31.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -140.21 142.68 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -152.25 126.11 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 75' ' ' THR . 39.0 p90 -125.49 19.7 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.35 -28.02 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.675 ' H ' HD12 ' A' ' 38' ' ' LEU . 7.1 mp -40.2 -48.95 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 3.1 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.2 m0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 97' ' ' PRO . 3.4 mp -95.07 151.43 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -98.08 146.12 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -131.14 120.24 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -117.04 136.85 52.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.548 HG22 HD11 ' A' ' 69' ' ' ILE . 41.6 mm -114.58 128.03 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 47.1 mt-10 -111.27 172.93 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 pp20? -148.37 131.38 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.7 tt0 -84.05 151.22 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 21.9 m-20 -107.82 132.9 20.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.19 37.06 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 -28.26 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' SER . 6.5 mmt -106.55 -2.35 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 38.12 26.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.0 t -121.12 154.26 36.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 67.5 m-85 -95.01 158.59 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.57 111.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 56' ' ' ILE . 19.2 pt -95.38 -33.09 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 87.8 t80 -139.47 144.39 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.08 114.93 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.44 -151.45 7.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -123.23 25.78 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.954 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 174.19 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 49.4 p -113.11 -31.83 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 30.2 ttp180 -93.64 154.39 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 74.7 t60 -161.85 117.25 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 33' ' ' GLU . 12.2 t -106.81 98.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 HD21 ' A' ' 82' ' ' LEU . 98.9 t -63.16 114.73 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -95.61 -175.97 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.0 52.93 39.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 31.4 mt -114.8 161.63 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -105.46 155.86 37.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 53.85 50.5 16.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.2 m -131.79 130.43 41.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.902 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.0 tm? -74.57 142.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.837 ' N ' HD13 ' A' ' 87' ' ' LEU . 50.1 m-85 -142.02 114.33 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HG3' HD11 ' A' ' 87' ' ' LEU . 14.2 mtmt -90.05 145.45 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.615 ' O ' HG22 ' A' ' 107' ' ' VAL . 59.3 m-85 -146.94 151.78 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.581 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -123.66 147.09 47.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.3 tp -109.44 111.23 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 26.2 tttt -102.89 144.04 31.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.3 m -139.02 138.31 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 101' ' ' TYR . 61.9 m -125.72 110.28 13.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -53.98 158.41 3.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.694 0.759 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 54.4 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.382 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -100.69 -33.32 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.65 -24.08 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 16' ' ' LEU . 81.6 mm-40 -69.53 154.67 41.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' HB3' HG23 ' A' ' 95' ' ' THR . 39.6 p90 -158.01 158.7 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -151.64 175.88 11.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 8.7 m-85 -125.7 150.48 47.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.451 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -94.24 165.44 17.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.1 Cg_endo -69.73 119.01 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -34.72 139.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 90' ' ' PHE . 3.0 m -124.56 102.71 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.902 ' HB2' HD21 ' A' ' 87' ' ' LEU . 8.7 p -85.23 125.51 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.105 HG11 HG21 ' A' ' 24' ' ' VAL . 15.6 m -134.56 129.36 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 122.56 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 32' ' ' ILE . 14.2 p -63.99 179.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.638 HG23 HG12 ' A' ' 27' ' ' VAL . 31.7 p -95.55 179.42 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -86.66 153.92 21.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.585 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -74.7 135.88 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 10.1 mtmt -53.82 140.82 49.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 156.91 62.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.43 157.24 47.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.8 Cg_endo -69.75 139.68 40.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.57 65.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.667 2.245 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.597 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.7 t -90.93 156.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.854 HG21 HG11 ' A' ' 109' ' ' VAL . 55.5 t -113.12 97.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.26 -82.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -85.94 127.12 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' A' ' 24' ' ' VAL . 60.1 t -116.69 108.07 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 24.6 p -112.21 151.85 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 20.2 p-80 -73.71 3.57 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 1.6 p80 -122.38 -7.22 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' THR . 52.6 p -170.66 177.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.635 HG13 HD12 ' A' ' 82' ' ' LEU . 95.4 mt -140.31 121.59 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.575 ' HA ' HG22 ' A' ' 78' ' ' VAL . 31.9 tt0 -81.53 136.12 35.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' VAL . 42.1 mt -138.83 144.77 39.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.4 p90 -151.37 121.73 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.3 p90 -116.85 20.4 13.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' OD1' HG21 ' A' ' 75' ' ' THR . 29.3 t70 -53.09 -19.83 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -48.42 -59.64 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.4 m0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 11.5 mt -96.11 142.4 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -85.53 132.35 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.88 113.76 21.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -117.18 115.13 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mm -93.69 146.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 49.1 mt-10 -132.72 172.14 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' OE1' ' CG2' ' A' ' 69' ' ' ILE . 6.0 pt-20 -144.79 139.61 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.516 ' OE2' ' CZ ' ' A' ' 66' ' ' TYR . 39.9 tt0 -93.65 155.54 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.42 129.57 23.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -19.67 35.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -104.4 -37.87 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.1 mtt -93.23 -6.96 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.5 m170 42.95 28.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -120.43 159.48 25.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.516 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 65.1 m-85 -102.27 152.88 20.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.09 141.98 9.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.33 113.83 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 20.6 pt -92.77 -31.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 80.7 t80 -142.65 145.25 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -150.38 116.9 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 -149.64 7.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -123.31 22.64 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.923 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.78 -179.36 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 79.1 p -117.68 -41.08 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 21.8 ttm105 -86.47 159.6 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.1 t60 -166.98 109.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.6 t -96.43 101.44 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.5 ' CG1' HD21 ' A' ' 82' ' ' LEU . 54.7 t -62.88 103.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.67 172.32 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 61.1 64.21 4.25 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.769 HD22 ' CE2' ' A' ' 88' ' ' TYR . 30.9 mt -125.63 163.39 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.89 150.23 37.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.07 31.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 5.2 mmm180 62.19 40.36 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.663 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.9 m -124.69 144.7 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.5 tp -93.84 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.769 ' CE2' HD22 ' A' ' 82' ' ' LEU . 68.2 m-85 -141.5 138.51 32.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 53.4 mttt -107.86 138.52 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 42.8 m-85 -144.14 135.2 25.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.413 ' NH2' ' CB ' ' A' ' 66' ' ' TYR . 17.3 ptt180 -116.18 135.96 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 20' ' ' HIS . 27.2 tp -94.19 129.79 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -118.68 153.81 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.48 146.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.455 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.2 m -136.92 111.08 8.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 p -54.48 156.07 6.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.37 -28.33 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.79 -33.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -55.51 149.28 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.455 ' HB3' HG23 ' A' ' 95' ' ' THR . 44.9 p90 -157.99 149.73 21.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 10.7 mm-40 -139.49 -175.69 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -136.13 147.56 47.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.38 159.25 31.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.34 6.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 3.1 p -42.39 140.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' VAL . 10.8 m -124.35 102.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' HD21 ' A' ' 87' ' ' LEU . 93.3 p -82.01 131.1 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.854 HG11 HG21 ' A' ' 24' ' ' VAL . 30.6 m -139.79 144.03 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.6 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.477 HG22 ' CG1' ' A' ' 32' ' ' ILE . 22.7 p -67.89 179.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 27' ' ' VAL . 81.8 p -91.67 178.97 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -88.12 139.95 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 10.7 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' N ' ' A' ' 102' ' ' GLU . 1.2 pt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -66.3 152.54 44.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -77.67 134.54 65.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.8 157.44 60.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.543 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -93.25 158.24 37.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.91 41.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.33 62.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.1 t -89.6 149.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.905 HG21 HG11 ' A' ' 109' ' ' VAL . 88.2 t -108.22 95.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.85 -82.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -84.03 136.31 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.04 103.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 68.1 p -110.39 171.27 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 9.4 p-80 -88.9 7.65 33.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 8.6 p80 -120.5 -29.57 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.6 m -153.52 173.46 15.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.62 HD13 HG23 ' A' ' 109' ' ' VAL . 73.9 mt -132.73 126.81 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HA ' HG22 ' A' ' 78' ' ' VAL . 30.8 tt0 -83.29 139.7 32.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -144.79 142.0 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.1 p90 -151.66 122.03 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 75' ' ' THR . 33.9 p90 -111.3 10.25 21.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' TRP . 8.0 mt -42.5 -55.39 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 12.9 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.0 m0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.78 158.72 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -108.3 146.21 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.9 m-85 -131.12 111.24 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 m -112.95 112.02 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.52 142.08 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 32.1 mt-10 -130.68 167.6 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -138.96 140.36 38.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 33.2 tt0 -83.73 160.26 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.4 t0 -113.48 123.6 32.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 60' ' ' ASP . 54.0 Cg_endo -69.75 -20.13 35.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 60' ' ' ASP . 5.3 ptmm? -111.89 -44.29 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 15.5 mmt -80.65 -18.19 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 53.27 36.43 22.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -132.63 155.2 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 60.9 m-85 -95.85 151.38 19.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.46 134.72 5.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -68.31 97.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 70' ' ' TYR . 44.6 pt -75.06 -36.52 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.491 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.2 t80 -142.79 144.38 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -151.69 114.55 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.8 -149.29 6.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.96 26.77 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.74 -174.97 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.529 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 28.4 p -120.81 -40.54 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 29.4 ttp180 -91.2 158.54 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.7 t60 -165.55 108.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 33' ' ' GLU . 55.7 t -97.62 100.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.1 t -60.81 109.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.76 174.59 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.71 57.31 20.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 88' ' ' TYR . 81.9 mt -120.43 158.35 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -105.94 157.95 33.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.7 54.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 52.55 45.88 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 88' ' ' TYR . 79.6 m -126.52 133.71 51.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.2 tm? -84.75 142.08 30.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.859 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.6 m-85 -142.51 114.45 8.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HG3' HD11 ' A' ' 87' ' ' LEU . 61.2 mttt -90.0 135.25 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 107' ' ' VAL . 29.7 m-85 -133.56 137.23 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 13.2 ptm180 -117.8 129.46 55.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.6 tp -91.55 128.61 37.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -118.41 144.47 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 54' ' ' PHE . 3.4 m -135.19 147.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.7 m -139.29 114.44 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 159.64 7.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 1.5 4.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 t -103.75 -35.6 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.75 -34.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.33 149.84 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.438 ' N ' HD22 ' A' ' 16' ' ' LEU . 41.6 p90 -158.17 140.75 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.455 ' N ' HD21 ' A' ' 16' ' ' LEU . 9.7 mm-40 -126.74 -175.05 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -137.62 144.48 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -93.64 161.28 30.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.75 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.4 t -40.87 138.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 90' ' ' PHE . 16.5 m -123.84 102.41 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.871 ' HB2' HD21 ' A' ' 87' ' ' LEU . 26.3 p -85.64 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 24' ' ' VAL . 15.9 m -138.33 131.56 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.31 124.46 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.2 p -62.64 179.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.2 p -96.37 -177.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 162.55 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 18.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 102' ' ' GLU . 3.9 pp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 p -79.17 128.81 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -44.11 138.81 3.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -84.59 157.23 61.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HB2' HG11 ' A' ' 107' ' ' VAL . 54.1 Cg_endo -69.77 140.0 41.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.42 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 141.03 44.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' OH ' ' A' ' 35' ' ' TYR . 42.2 t -83.64 153.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 109' ' ' VAL . 75.8 t -114.5 97.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.85 -83.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -85.04 130.38 34.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 112' ' ' THR . 8.1 p -118.86 106.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 21.6 p -107.47 160.47 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 56.2 p-80 -81.03 5.41 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.3 p80 -124.74 -16.18 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.2 p -161.31 171.62 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' A' ' 82' ' ' LEU . 30.1 mt -132.6 126.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.7 tt0 -80.07 140.98 36.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 22' ' ' PRO . 49.5 mt -142.01 140.01 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.707 ' OH ' HG11 ' A' ' 23' ' ' VAL . 38.8 p90 -152.22 120.53 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.501 ' CH2' HG13 ' A' ' 56' ' ' ILE . 44.7 p90 -124.9 39.5 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -80.36 18.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.99 -41.49 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.5 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.72 145.0 27.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -86.06 151.13 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.05 118.18 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 m -120.65 114.6 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.501 HG13 ' CH2' ' A' ' 36' ' ' TRP . 25.1 mm -97.63 143.65 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 68' ' ' VAL . 5.2 mp0 -133.21 171.82 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.4 pt-20 -145.07 143.42 30.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 51.5 tt0 -92.34 156.82 16.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' HIS . 23.2 m-20 -113.12 127.46 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.02 37.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.0 -36.06 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 30.1 mmt -96.56 -3.08 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' ASP . 14.4 m-70 39.4 26.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.4 m -121.92 164.64 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 76.2 m-85 -105.77 170.19 8.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 131.68 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 76.2 t -60.67 104.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 41.0 pt -85.1 -30.91 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.538 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 54.3 t80 -143.15 143.14 31.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -152.51 129.51 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.39 -150.11 13.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.18 23.05 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.964 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.82 166.49 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 75.0 p -109.89 -24.01 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.491 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 34.1 ttm-85 -99.07 159.55 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 78.5 t60 -165.78 159.69 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' GLU . 64.3 t -147.43 117.65 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.53 ' CG1' HD21 ' A' ' 82' ' ' LEU . 72.9 t -81.66 107.94 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.37 178.62 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 52.51 72.72 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.825 HD22 ' CE2' ' A' ' 88' ' ' TYR . 67.9 mt -130.31 169.33 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.35 149.72 39.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.697 0.761 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.447 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.8 138.98 38.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 58.65 38.84 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.6 m -123.0 144.35 49.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.7 tp -93.89 146.97 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.825 ' CE2' HD22 ' A' ' 82' ' ' LEU . 47.4 m-85 -139.26 138.26 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -108.78 136.13 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 36.7 m-85 -139.9 144.21 37.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLU . 5.7 ptm180 -122.62 130.88 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 56' ' ' ILE . 12.5 tp -96.88 131.33 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 103' ' ' TYR . 2.3 tttm -118.03 144.53 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 1.5 m -133.76 138.77 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -121.86 108.09 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 4.4 p -52.96 155.46 4.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 4.39 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 m -103.9 -28.16 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.64 -21.88 3.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.51 160.53 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 14.3 p90 -155.84 170.08 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.565 ' HB2' HD11 ' A' ' 16' ' ' LEU . 43.3 mm-40 -159.5 169.3 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.601 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 4.4 m-85 -119.63 151.2 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.2 p -92.83 160.44 34.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' VAL . 53.4 Cg_endo -69.73 120.52 7.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' PRO . 86.2 t -36.29 130.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 21' ' ' PRO . 10.5 m -120.56 102.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.583 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.4 p -86.54 128.96 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 24' ' ' VAL . 16.7 m -137.66 139.98 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.26 130.46 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 p -66.54 -174.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 27' ' ' VAL . 72.3 p -98.98 170.55 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -76.76 150.4 36.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 76.3 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.15 159.04 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -59.77 136.31 89.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.77 147.59 63.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.441 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -79.4 157.06 75.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.42 45.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.89 68.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.322 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.751 HG11 ' OH ' ' A' ' 35' ' ' TYR . 59.3 t -91.46 153.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.842 HG21 HG11 ' A' ' 109' ' ' VAL . 98.4 t -108.57 95.16 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.14 -85.89 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -82.71 134.53 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 112' ' ' THR . 90.3 t -122.43 111.27 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 75.6 p -118.64 157.59 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.635 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 18.6 p-80 -80.85 6.81 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.5 p80 -124.54 -21.26 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -153.52 178.02 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 HG23 ' A' ' 109' ' ' VAL . 96.9 mt -142.35 121.72 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 78' ' ' VAL . 23.5 tt0 -81.87 140.75 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 mt -141.44 134.87 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.751 ' OH ' HG11 ' A' ' 23' ' ' VAL . 50.4 p90 -144.17 124.43 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.482 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.8 p90 -121.49 21.67 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -51.67 -22.87 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -43.01 -71.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.7 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.2 m0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 13.2 mt -90.9 156.14 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -98.25 147.56 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -137.95 112.03 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -106.41 136.05 46.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.87 119.18 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' VAL . 31.7 mt-10 -111.44 172.0 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -142.43 135.19 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.99 165.21 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.93 132.32 24.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -22.9 31.64 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -101.33 -45.53 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 21.1 mtt -79.8 -24.62 41.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 56.9 36.67 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -137.91 158.18 44.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 96.6 m-85 -95.11 157.25 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.53 125.68 2.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 57' ' ' GLU . 45.6 t -61.4 96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 38.6 pt -77.82 -29.71 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -143.04 143.58 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.73 114.11 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.43 -149.61 6.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -125.69 25.32 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.57 173.59 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 64.6 p -109.21 -37.72 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 7.9 ttm105 -88.47 154.14 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.5 t60 -165.09 120.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.2 t -107.49 103.78 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.483 ' CG1' HD21 ' A' ' 82' ' ' LEU . 73.8 t -62.01 107.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.89 163.81 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.87 67.08 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 69.2 mt -126.49 159.05 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -101.57 152.09 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.22 39.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 55.89 48.2 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.7 m -130.84 138.6 49.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.5 tm? -83.49 143.57 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.2 m-85 -142.43 113.63 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.7 mtmt -88.58 138.96 30.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 58.4 m-85 -140.9 131.39 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 5.6 ptm85 -109.34 128.43 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 20' ' ' HIS . 12.6 tp -91.49 130.49 37.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 9.8 tttt -115.31 155.01 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -146.78 139.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.613 HG23 ' HB3' ' A' ' 101' ' ' TYR . 20.1 m -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.9 m -60.55 159.15 26.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.753 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -106.49 -34.07 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.78 -34.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' HB2' HD23 ' A' ' 16' ' ' LEU . 33.6 mt-10 -51.46 145.95 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.613 ' HB3' HG23 ' A' ' 95' ' ' THR . 52.4 p90 -158.49 148.83 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -142.31 -176.65 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 31.7 m-85 -132.74 145.89 51.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.88 161.38 31.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.725 0.774 . . . . 0.0 110.808 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.82 117.5 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.6 p -40.27 129.49 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 90' ' ' PHE . 23.7 m -115.68 107.23 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.803 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.5 p -88.79 118.02 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.842 HG11 HG21 ' A' ' 24' ' ' VAL . 28.4 m -126.46 133.38 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.99 129.96 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.457 HG22 ' CG1' ' A' ' 32' ' ' ILE . 63.2 p -64.82 -174.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.92 HG23 HG12 ' A' ' 27' ' ' VAL . 54.1 p -101.91 173.07 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.65 146.39 38.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.635 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 11.0 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.0 pp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 16' ' ' LEU . 18.3 m -68.91 140.34 55.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 9.1 mtmt -54.31 136.81 60.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.65 147.17 62.95 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.494 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -80.22 157.99 72.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.79 142.73 48.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.74 141.46 45.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 21.8 t -84.06 151.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.901 HG21 HG11 ' A' ' 109' ' ' VAL . 87.7 t -111.46 103.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.83 -80.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.84 131.49 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -123.52 112.73 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.52 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 47.4 p -115.96 154.48 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 13.8 p-80 -74.4 4.45 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 2.5 p80 -122.95 -19.1 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -160.27 167.3 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.43 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -129.44 131.75 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 78' ' ' VAL . 42.6 tt0 -89.44 135.73 33.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 22' ' ' PRO . 32.2 mt -141.12 136.2 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.0 p90 -144.15 127.28 16.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.492 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.5 p90 -124.07 41.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.57 19.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -92.97 -11.24 33.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.494 ' CD ' ' CE1' ' A' ' 20' ' ' HIS . 11.3 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 33.3 m0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.77 165.19 25.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -107.95 138.72 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -122.7 120.09 32.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -120.25 130.82 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.492 HD11 ' CH2' ' A' ' 36' ' ' TRP . 19.5 mm -108.16 132.65 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 20.5 mt-10 -121.16 153.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.1 pp20? -122.88 134.09 54.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 27.2 tt0 -83.28 153.67 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 20.7 m-20 -113.65 127.07 27.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.06 28.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -99.75 -31.56 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.608 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 7.5 mmt -100.95 4.61 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 63' ' ' MET . 1.5 p-80 30.67 37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 t -134.38 163.09 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 93.2 m-85 -101.15 167.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.77 126.97 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.3 t -59.15 101.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 31.2 pt -84.7 -33.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 69.1 t80 -139.38 145.1 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -152.05 112.18 4.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.84 -158.02 15.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.71 21.73 14.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.83 169.42 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.479 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 26.8 p -109.48 -21.18 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.3 ttp180 -104.61 157.02 17.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 44.5 t60 -163.91 112.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.6 t -100.83 98.98 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 72.5 t -59.27 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -89.14 166.51 13.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.02 68.88 1.49 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 76.7 mt -129.12 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -103.6 153.88 38.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.22 42.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 56.9 46.21 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -128.81 134.21 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 108' ' ' SER . 1.5 tm? -82.22 142.83 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.72 ' N ' HD13 ' A' ' 87' ' ' LEU . 51.7 m-85 -140.74 114.67 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 62.3 mttt -88.31 138.34 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 51.6 m-85 -138.11 141.76 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.488 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 14.4 ptm180 -123.56 130.88 53.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 93' ' ' LYS . 16.8 tp -92.4 128.69 38.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.416 ' N ' HD12 ' A' ' 92' ' ' LEU . 27.8 tttt -118.15 151.73 37.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.66 141.2 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 m -128.62 109.11 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -51.63 155.5 2.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.32 2.86 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -107.15 -29.01 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.52 -30.4 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.15 152.95 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -158.06 143.43 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.7 mm-40 -130.69 179.97 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -134.41 141.75 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -92.61 159.22 36.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.73 5.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 4.7 p -40.46 142.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.8 m -124.47 102.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.81 ' HB2' HD21 ' A' ' 87' ' ' LEU . 2.5 p -84.25 117.49 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.901 HG11 HG21 ' A' ' 24' ' ' VAL . 28.3 m -130.78 129.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.07 132.85 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -68.51 -175.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.9 p -97.18 -174.82 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -99.36 132.09 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.595 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -73.67 155.92 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -75.52 132.14 76.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.68 137.87 36.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CD2' ' CD ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -72.68 162.89 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.0 Cg_endo -69.79 140.59 42.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.586 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.77 140.41 42.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' OH ' ' A' ' 35' ' ' TYR . 38.2 t -88.32 160.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.987 HG21 HG11 ' A' ' 109' ' ' VAL . 29.6 t -116.4 108.54 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.81 -88.05 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 85.1 tttt -79.9 139.05 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.67 113.84 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.457 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 60.7 p -123.9 153.06 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 17.6 p-80 -74.75 5.55 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 17.2 p80 -122.63 -8.29 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 82' ' ' LEU . 58.8 p -173.32 169.58 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.739 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -132.44 127.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 24' ' ' VAL . 22.4 tt0 -80.46 139.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 90' ' ' PHE . 20.3 mt -143.56 128.87 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' OH ' HG11 ' A' ' 23' ' ' VAL . 32.2 p90 -136.21 130.43 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.497 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.6 p90 -124.48 34.22 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.32 -2.52 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.61 -24.07 64.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.608 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 6.2 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.9 m0 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp -92.23 158.25 16.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -100.13 145.46 27.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.4 m-85 -130.85 118.61 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -117.04 113.53 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mm -94.99 127.53 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 68' ' ' VAL . 17.6 mt-10 -117.37 168.21 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.12 134.06 43.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -90.3 153.42 20.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' HIS . 8.4 m-20 -116.42 128.5 25.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.24 36.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -103.31 -37.86 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mmt -93.42 -10.16 36.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.5 m-70 45.71 26.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -119.32 161.6 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -101.78 153.02 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.22 123.5 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.461 HG22 ' CG ' ' A' ' 57' ' ' GLU . 76.1 t -64.62 99.92 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 pt -81.35 -32.04 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.443 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 70.5 t80 -142.6 144.21 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 t -150.77 113.14 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.36 -148.88 6.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -122.97 21.62 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.23 179.69 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 70.9 p -118.28 -36.06 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.5 ttp180 -96.34 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 59.6 t60 -164.28 109.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.4 t -96.38 101.02 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.1 t -58.77 107.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -88.57 167.51 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.51 61.13 6.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.8 mt -120.23 163.12 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -103.8 151.53 38.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.54 40.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 57.34 41.98 25.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 88' ' ' TYR . 17.9 m -125.34 144.25 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -93.5 147.49 22.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 86' ' ' THR . 61.6 m-85 -142.35 139.7 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 27.7 mttm -106.22 132.0 52.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 107' ' ' VAL . 46.9 m-85 -139.93 131.97 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.567 HH12 ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -111.64 173.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 54' ' ' PHE . 12.6 tp -133.21 108.11 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 55.4 tttt -101.35 140.33 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 54' ' ' PHE . 1.8 m -129.5 148.44 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.0 m -135.53 104.97 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.2 m -45.94 153.15 0.68 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.23 2.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -105.17 -27.65 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.53 -27.12 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' SER . 68.7 mm-40 -67.39 156.77 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -158.17 162.3 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.5 mm-40 -145.92 -175.58 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 9.8 m-85 -139.81 140.42 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.567 ' N ' HH12 ' A' ' 91' ' ' ARG . 1.7 p -92.79 157.88 38.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 11.6 p -38.29 146.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 90' ' ' PHE . 4.0 m -132.72 102.82 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 87' ' ' LEU . 94.9 p -78.48 138.51 38.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.987 HG11 HG21 ' A' ' 24' ' ' VAL . 28.6 m -145.14 141.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.48 128.43 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.595 HG22 ' CG1' ' A' ' 32' ' ' ILE . 42.7 p -68.54 -175.3 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.6 p -97.84 -176.18 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -90.25 150.2 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.56 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -77.4 166.26 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -81.85 134.31 50.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.81 159.07 54.72 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -94.9 162.98 23.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.841 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.78 142.26 47.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG11 ' OH ' ' A' ' 35' ' ' TYR . 12.6 t -85.25 151.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.847 HG21 HG11 ' A' ' 109' ' ' VAL . 58.4 t -115.98 103.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.99 -77.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.79 130.87 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.91 112.68 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.419 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 49.0 p -114.51 151.73 32.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 29.7 p-80 -73.74 2.18 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.1 p80 -121.7 -12.04 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.496 ' HA ' HD12 ' A' ' 82' ' ' LEU . 99.4 p -166.48 169.09 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 109' ' ' VAL . 65.3 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -81.72 130.28 35.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 22' ' ' PRO . 19.6 mt -134.76 141.85 46.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 23.0 p90 -150.25 125.42 10.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.487 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.3 p90 -118.27 33.17 5.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 38' ' ' LEU . 3.2 p-10 -74.6 44.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD22 ' C ' ' A' ' 37' ' ' ASP . 2.6 mm? -114.3 -29.41 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 54' ' ' PHE . 14.7 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.3 m0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 27.2 mt -75.32 143.77 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.9 ttm180 -80.31 151.51 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 19.4 m-85 -138.27 112.35 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -119.02 130.25 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 69' ' ' ILE . 48.2 mm -103.98 149.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 91' ' ' ARG . 1.7 mp0 -139.58 171.85 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 12.1 pt-20 -149.15 139.51 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 41.8 tt0 -87.38 152.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.77 131.13 21.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -102.12 -41.0 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.6 mmt -89.41 -8.1 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 41.6 37.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -135.86 158.61 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 74.4 m-85 -97.97 150.15 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 124.79 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.49 105.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 56' ' ' ILE . 47.5 pt -83.65 -33.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.4 ' N ' HG13 ' A' ' 69' ' ' ILE . 83.7 t80 -142.61 150.07 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -150.3 121.48 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.11 -160.72 33.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -104.35 -16.13 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.82 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.487 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -111.01 -28.95 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 78' ' ' VAL . 35.9 ttt-85 -99.97 156.71 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -164.37 113.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.549 HG21 ' NH2' ' A' ' 76' ' ' ARG . 53.7 t -100.79 96.69 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 82' ' ' LEU . 78.0 t -56.69 107.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -86.91 169.37 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.17 61.01 7.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.3 mt -120.54 161.01 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -104.46 158.73 31.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.94 52.45 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.518 ' NE ' ' CG ' ' A' ' 113' ' ' ARG . 10.0 mmt180 45.08 44.66 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 m -119.9 132.22 55.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.3 tm? -80.49 138.2 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.4 m-85 -139.36 112.77 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' A' ' 87' ' ' LEU . 5.6 mtmp? -88.33 137.77 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.725 ' O ' HG22 ' A' ' 107' ' ' VAL . 34.7 m-85 -136.89 138.88 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' CG ' ' OE1' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -117.0 128.24 54.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.0 128.19 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -116.24 146.22 42.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.78 146.05 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -133.43 118.82 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -60.07 161.21 13.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 52' ' ' LEU . 53.4 Cg_endo -69.8 -0.01 6.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -103.2 -36.37 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.6 -31.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -55.44 152.65 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -156.07 140.89 17.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 5.9 mm-40 -125.88 -175.7 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.29 146.71 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -93.09 160.04 34.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.34 9.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 89' ' ' LYS . 89.3 t -39.04 137.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 90' ' ' PHE . 30.0 m -125.58 103.54 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.83 ' CB ' HD21 ' A' ' 87' ' ' LEU . 10.4 p -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 24' ' ' VAL . 20.3 m -124.43 128.49 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.13 126.89 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.2 p -66.35 -174.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -100.94 -178.24 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.518 ' CG ' ' NE ' ' A' ' 85' ' ' ARG . 17.5 mtm105 -77.18 162.45 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.584 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 22.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -77.44 129.99 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -44.75 140.37 3.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.07 13.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.65 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -105.3 157.56 34.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.5 Cg_endo -69.81 138.75 38.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 140.77 43.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 15.2 t -84.27 154.71 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 109' ' ' VAL . 93.5 t -111.24 95.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.23 -86.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -82.57 134.57 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.829 HG22 HG23 ' A' ' 112' ' ' THR . 10.1 p -121.71 104.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.61 164.35 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 112' ' ' THR . 49.5 p-80 -85.97 8.06 21.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -126.35 -12.62 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -166.38 172.69 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.606 HD13 HG23 ' A' ' 109' ' ' VAL . 63.6 mt -133.49 126.71 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HA ' HG22 ' A' ' 78' ' ' VAL . 29.4 tt0 -83.46 137.71 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 mt -140.82 139.47 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.4 p90 -148.25 123.79 10.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.5 p90 -121.4 38.64 4.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -81.16 24.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 38' ' ' LEU . 5.6 mp -96.3 -28.27 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.514 ' OE2' HD21 ' A' ' 92' ' ' LEU . 13.4 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.6 m0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.24 164.23 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -104.44 151.95 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -134.26 115.02 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -116.41 114.05 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.466 HD11 ' CH2' ' A' ' 36' ' ' TRP . 14.7 mm -95.98 132.77 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 8.7 mt-10 -126.8 167.96 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.1 tt0 -146.35 150.07 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -87.04 148.6 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.486 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 1.1 m-20 -103.75 129.41 25.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -29.96 23.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HD2' ' CG ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.67 -36.54 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.486 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 35.7 mtt -90.3 -7.53 53.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 42.94 31.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.7 t -134.32 161.53 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 42.0 m-85 -94.75 157.55 15.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.1 144.11 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -74.28 102.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.2 pt -80.81 -36.85 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 75.0 t80 -138.53 144.06 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 t -151.94 118.27 5.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.33 -148.11 6.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -122.55 24.6 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.38 179.64 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.534 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 30.2 p -119.5 -34.88 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 31.9 ttm180 -89.36 151.35 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.6 t60 -162.48 108.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.8 t -96.84 99.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 53.5 t -58.61 101.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.82 169.13 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.589 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 58.14 75.79 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 88' ' ' TYR . 47.8 mt -133.67 158.54 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -98.92 150.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.78 146.58 60.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 4.7 mmm180 52.73 36.48 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.1 m -120.62 143.61 48.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.3 tp -93.03 148.72 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 82' ' ' LEU . 55.3 m-85 -142.03 131.77 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -104.02 133.03 49.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 65.7 m-85 -133.14 136.91 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 13.3 ptm180 -115.04 126.89 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 20' ' ' HIS . 19.9 tp -91.02 127.52 36.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -117.92 146.25 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.64 147.55 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 m -138.35 113.18 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -53.44 159.55 2.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.13 6.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.2 m -104.51 -37.03 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.52 -32.05 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.92 151.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -156.63 155.4 31.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -144.61 -175.59 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -137.26 147.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 p -95.42 160.73 29.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 120.99 7.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -41.47 134.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.3 m -122.18 102.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 87' ' ' LEU . 37.1 p -83.54 131.37 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.992 HG11 HG21 ' A' ' 24' ' ' VAL . 28.7 m -137.57 142.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.34 126.68 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.462 HG22 ' CG1' ' A' ' 32' ' ' ILE . 80.9 p -62.37 -178.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.829 HG23 HG22 ' A' ' 27' ' ' VAL . 43.1 p -95.09 165.6 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.38 150.4 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 36.1 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' SER . 4.3 pp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' HD12 ' A' ' 16' ' ' LEU . 75.0 m -62.29 152.88 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -63.42 135.82 96.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.71 138.69 38.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.68 158.06 88.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.72 141.48 45.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.73 2.286 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.83 142.99 49.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.211 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 t -89.1 152.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.883 HG21 HG11 ' A' ' 109' ' ' VAL . 21.8 t -105.96 110.09 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.38 -87.76 0.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -76.67 126.21 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 112' ' ' THR . 59.8 t -113.83 107.77 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -117.07 150.53 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' THR . 50.8 p-80 -74.77 6.83 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -134.46 5.67 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -175.06 171.17 3.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.6 HD13 HG23 ' A' ' 109' ' ' VAL . 82.6 mt -144.9 117.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 38.3 tt0 -86.06 143.81 27.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 24' ' ' VAL . 10.2 mt -139.38 151.12 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 52.8 p90 -152.44 115.56 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 41.4 p90 -112.39 38.95 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' HD22 ' A' ' 38' ' ' LEU . 7.6 p-10 -81.91 27.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.702 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.3 mm? -106.0 -7.3 18.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.0 m0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.3 mt -93.1 149.43 21.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -86.9 145.0 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -132.66 112.94 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -115.17 117.99 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 69' ' ' ILE . 46.0 mm -97.59 141.18 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 15.5 mt-10 -133.34 153.57 51.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.1 pt-20 -126.93 133.33 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 54.7 tt0 -82.28 159.77 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 2.8 t0 -113.74 124.96 30.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.78 37.4 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.734 2.289 . . . . 0.0 112.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -112.96 -42.22 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mtt -85.7 -7.32 58.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 42.61 38.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -134.21 157.81 45.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -98.35 174.21 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.419 ' C ' ' HG2' ' A' ' 57' ' ' GLU . . . -167.17 125.26 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.0 t -62.61 90.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 58' ' ' GLU . 40.2 pt -68.35 -34.56 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 79.9 t80 -143.01 144.13 32.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -151.23 119.13 6.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.34 -150.15 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -118.82 24.86 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.78 165.79 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 77.4 p -112.85 -21.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.97 141.17 36.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 57.0 t60 -158.77 126.17 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 32' ' ' ILE . 2.1 p -118.55 102.38 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 95.5 t -52.24 108.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.49 161.72 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.37 72.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.674 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.0 mt -125.98 155.37 41.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -92.48 152.44 42.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.754 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.479 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.85 157.16 61.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 40.48 31.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 88' ' ' TYR . 56.6 m -113.96 139.72 48.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.0 tp -90.31 147.34 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 75.6 m-85 -142.61 126.59 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -99.24 133.09 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 46.6 m-85 -135.71 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 93' ' ' LYS . 12.5 ptt85 -113.9 140.02 48.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.2 tp -104.97 121.52 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 46.7 tttt -111.35 148.01 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -138.22 142.1 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.2 m -133.51 116.63 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -58.54 159.17 12.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.22 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -105.39 -36.2 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.34 -33.95 0.84 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -54.62 151.22 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -157.54 148.72 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 16' ' ' LEU . 3.5 mm-40 -137.34 -176.53 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -136.71 148.47 47.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -94.75 159.39 33.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 119.86 6.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.2 t -37.93 136.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 107' ' ' VAL . 18.6 m -125.29 102.26 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.604 ' HB2' HD21 ' A' ' 87' ' ' LEU . 88.8 p -86.22 127.86 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 24' ' ' VAL . 18.2 m -133.97 138.76 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.03 126.67 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 32' ' ' ILE . 20.7 p -63.88 178.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HG12 ' A' ' 27' ' ' VAL . 72.4 p -92.03 165.35 13.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -72.25 140.14 48.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 72.6 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.779 0.323 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -74.18 164.42 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -77.12 138.27 64.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.1 Cg_endo -69.71 153.56 69.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.63 157.81 46.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.557 0.694 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.5 Cg_endo -69.8 138.17 37.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.3 t -94.55 156.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 109' ' ' VAL . 41.0 t -107.41 107.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.18 -78.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.46 126.18 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 HG23 ' A' ' 112' ' ' THR . 48.0 t -112.69 102.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -112.74 151.81 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 38.5 p-80 -78.0 9.53 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -134.47 0.15 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 t -171.92 163.2 6.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 109' ' ' VAL . 82.5 mt -134.51 113.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 25.5 tt0 -82.51 143.48 31.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 77' ' ' HIS . 11.2 mt -140.75 154.04 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 49.8 p90 -152.89 120.21 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.469 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.5 p90 -121.27 35.77 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.793 ' OD1' HG21 ' A' ' 75' ' ' THR . 6.0 t70 -79.2 13.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.8 -33.2 17.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.57 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 35.6 m0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.767 0.318 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 47.8 mt -98.33 150.41 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -99.28 152.82 19.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 92' ' ' LEU . 40.5 m-85 -136.94 120.42 17.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -120.5 117.22 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -98.73 139.28 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 24.2 mt-10 -132.71 146.21 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 69' ' ' ILE . 1.7 pp20? -122.36 138.57 54.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -87.6 151.01 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 7.7 m-20 -117.1 134.39 23.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.18 28.95 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -91.84 -31.97 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' HIS . 1.9 mtt -103.42 -1.09 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 34.7 37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -140.39 160.83 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -96.37 157.99 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.35 128.78 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 94.7 t -60.07 86.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 70' ' ' TYR . 47.4 pt -67.9 -34.11 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.1 t80 -142.71 143.55 32.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 124.34 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.32 -148.18 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -120.87 23.82 10.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.29 173.34 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.793 HG21 ' OD1' ' A' ' 37' ' ' ASP . 67.8 p -120.28 -30.6 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -94.44 136.36 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 47.7 t60 -153.7 134.11 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.2 p -128.45 103.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.742 HG21 ' CE1' ' A' ' 90' ' ' PHE . 97.0 t -56.81 110.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.74 167.32 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.516 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 60.54 74.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 55.6 mt -131.34 165.29 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -104.59 156.46 35.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.426 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 54.2 Cg_endo -69.71 139.66 40.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.4 48.63 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -127.39 129.65 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.865 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.1 tm? -78.1 140.3 39.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.826 ' N ' HD13 ' A' ' 87' ' ' LEU . 61.3 m-85 -139.73 113.04 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HG3' HD11 ' A' ' 87' ' ' LEU . 46.8 mttt -87.6 139.83 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 79' ' ' VAL . 61.1 m-85 -140.3 136.19 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 10.8 ptm180 -113.16 129.79 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.7 tp -91.58 118.09 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -105.84 149.43 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.566 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -144.54 144.93 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.3 m -135.63 115.72 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.6 m -57.39 157.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.721 0.772 . . . . 0.0 110.806 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 t -104.92 -31.04 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.6 -33.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -59.4 155.88 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.2 p90 -157.23 153.08 26.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 15.3 mm-40 -137.82 -175.78 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 39.9 m-85 -141.07 145.24 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -93.02 162.69 27.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.7 119.69 6.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -38.5 136.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.4 m -122.61 102.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.865 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.4 p -86.28 124.4 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 24' ' ' VAL . 9.0 m -131.18 130.07 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.92 121.63 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.445 HG22 ' CG1' ' A' ' 32' ' ' ILE . 37.2 p -56.44 179.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.705 HG23 HG12 ' A' ' 27' ' ' VAL . 25.2 p -94.78 168.25 10.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -76.75 143.26 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 24.0 mp0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -86.34 161.79 18.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -65.09 136.6 96.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.3 Cg_endo -69.7 149.08 66.77 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.378 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -79.03 157.17 76.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.0 Cg_endo -69.78 140.62 43.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.79 140.52 42.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.658 HG11 ' OH ' ' A' ' 35' ' ' TYR . 16.5 t -81.91 151.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 71.6 t -115.41 97.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.63 -79.67 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.86 136.97 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 24' ' ' VAL . 49.8 t -127.15 101.4 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 p -102.31 153.86 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 16.9 p-80 -74.37 4.13 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -123.33 -17.03 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -157.69 176.49 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.725 HD13 HG23 ' A' ' 109' ' ' VAL . 87.6 mt -138.5 125.73 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.631 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.9 tt0 -80.3 142.61 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 22' ' ' PRO . 30.6 mt -144.86 138.41 26.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.658 ' OH ' HG11 ' A' ' 23' ' ' VAL . 27.4 p90 -152.4 121.9 6.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 46.0 p90 -122.64 30.21 6.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' HG21 ' A' ' 75' ' ' THR . 36.1 t0 -76.81 43.14 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.19 -33.39 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.61 148.72 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -95.12 140.11 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.79 113.04 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.97 133.73 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.545 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 17.0 mm -105.23 140.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 1.5 mp0 -128.24 171.69 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -145.32 152.16 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 18.9 tt0 -97.43 146.58 25.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 8.4 m-20 -102.55 125.15 36.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -29.95 23.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.86 -36.77 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.465 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 52.2 mtp -87.23 -24.09 24.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASP . 20.3 m-70 60.81 26.0 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 176.75 7.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 36.9 m-85 -117.87 167.54 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.94 120.83 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.67 105.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 pt -81.45 -31.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 86.2 t80 -138.29 141.11 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -147.36 118.24 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.63 -152.16 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -123.26 24.59 8.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.06 179.37 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 18.3 p -119.81 -19.14 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.8 ttm180 -103.57 162.77 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 83.6 t60 -170.45 149.12 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 33' ' ' GLU . 74.5 t -140.29 114.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 93.7 t -75.11 111.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -92.45 164.96 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.8 66.4 2.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 56.5 mt -124.68 163.69 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -103.31 155.29 36.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.7 134.72 28.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 57.06 51.12 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.5 m -130.89 134.5 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.807 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.2 tm? -81.08 138.59 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.663 ' H ' HD22 ' A' ' 87' ' ' LEU . 52.4 m-85 -136.8 112.39 9.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.0 mttt -87.09 137.62 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 107' ' ' VAL . 64.9 m-85 -139.39 138.82 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 4.9 ptm85 -117.2 129.11 55.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 93' ' ' LYS . 10.3 tp -91.34 131.96 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.552 ' N ' HD12 ' A' ' 92' ' ' LEU . 30.7 tttt -117.04 147.59 42.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -139.88 143.32 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 101' ' ' TYR . 38.4 m -132.33 107.84 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 100' ' ' GLU . 3.6 p -46.91 154.81 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.35 2.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -108.51 -31.48 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.27 -32.31 1.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' SER . 26.8 mm-40 -58.26 152.04 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.5 p90 -158.01 144.15 17.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mm-40 -132.46 -174.7 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -135.12 145.09 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.442 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.3 p -93.94 159.86 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.752 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.88 7.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.1 t -39.52 138.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.5 m -122.49 102.96 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.807 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.0 p -85.41 119.76 26.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 27.9 m -128.66 132.2 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.27 124.48 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 p -61.77 -174.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 47.6 p -104.74 -179.34 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -73.57 155.08 39.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 12.7 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.798 0.333 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -58.08 137.62 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -59.34 136.93 88.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.71 150.39 68.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.382 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.51 161.96 43.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.16 41.97 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.569 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.4 Cg_endo -69.75 140.94 43.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.612 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.2 t -87.17 159.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 HG11 ' A' ' 109' ' ' VAL . 89.9 t -120.42 97.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.1 -78.83 0.52 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -88.62 134.26 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 27' ' ' VAL . 6.4 p -122.89 98.1 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -95.45 154.14 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 21.5 p-80 -75.17 5.39 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -125.3 -12.25 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.703 ' HA ' HD12 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -165.08 172.01 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 109' ' ' VAL . 75.4 mt -130.3 127.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 78' ' ' VAL . 20.4 tt0 -82.92 135.61 34.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' HB2' ' A' ' 22' ' ' PRO . 21.2 mt -138.44 142.49 39.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.612 ' OH ' HG11 ' A' ' 23' ' ' VAL . 25.3 p90 -152.06 123.14 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' LEU . 36.5 p90 -111.31 17.96 19.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -38.99 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.724 ' H ' HD22 ' A' ' 38' ' ' LEU . 3.0 mm? -45.81 -47.58 15.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 3.0 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.4 m0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 96' ' ' SER . 10.1 mt -90.81 152.09 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -95.87 149.51 21.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -137.65 118.14 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 p -112.08 139.82 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -121.99 113.03 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 24.4 mt-10 -106.29 162.78 13.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 69' ' ' ILE . 7.2 pt-20 -129.3 140.24 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -85.97 156.67 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 13.7 m-20 -118.77 130.12 25.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -21.56 32.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -105.65 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.443 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 20.8 mmt -81.64 -19.49 41.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 50.88 33.94 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -132.01 159.36 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 91' ' ' ARG . 90.3 m-85 -96.02 146.77 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.71 127.12 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 34.9 t -62.13 96.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 58' ' ' GLU . 20.8 pt -80.05 -29.24 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -142.72 145.39 33.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -151.9 111.15 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.57 -154.92 8.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.87 25.09 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.56 -174.78 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.7 p -118.85 -37.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 19.6 ttp-105 -93.16 156.84 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 53.5 t60 -165.58 108.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 33' ' ' GLU . 50.9 t -95.23 96.23 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 82' ' ' LEU . 56.0 t -53.97 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.63 163.07 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.465 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 66.65 74.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' SER . 89.7 mt -137.48 172.68 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -116.65 152.93 48.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 146.37 60.05 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 55.1 28.85 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.639 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.4 m -113.68 137.76 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.4 tp -89.93 146.89 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CE1' HG22 ' A' ' 86' ' ' THR . 54.9 m-85 -142.35 132.54 24.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 29.8 mttm -101.51 135.28 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.7 m-85 -137.72 141.94 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 66' ' ' TYR . 3.1 ptm85 -120.75 140.0 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 tp -102.78 130.88 49.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 15.4 tttt -118.12 156.07 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -146.55 138.21 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.3 m -131.76 118.74 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 2.6 m -64.54 159.25 61.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 3.26 2.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.6 m -106.98 -33.18 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.79 -32.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.68 153.25 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -157.46 156.55 32.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 mm-40 -144.36 173.92 11.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 28.4 m-85 -131.63 140.93 49.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.402 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.3 p -93.0 159.71 35.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.76 120.37 7.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -44.62 136.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.569 HG21 ' HG2' ' A' ' 22' ' ' PRO . 11.2 m -121.58 113.33 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.6 p -90.15 131.5 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.966 HG11 HG21 ' A' ' 24' ' ' VAL . 15.3 m -138.06 141.87 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.39 123.01 49.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.555 HG22 ' CG1' ' A' ' 32' ' ' ILE . 18.9 p -62.45 -173.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 40.1 p -104.45 157.88 16.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -64.28 143.3 57.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.545 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 13.7 mt-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.4 p -53.9 129.26 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -53.92 136.9 56.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.5 Cg_endo -69.78 138.45 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.304 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.417 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -73.98 159.21 84.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.865 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.4 Cg_endo -69.79 142.34 47.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.75 146.15 59.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.526 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 5.8 t -89.64 154.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.94 HG21 HG11 ' A' ' 109' ' ' VAL . 65.1 t -115.0 96.63 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.5 -78.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -90.72 131.72 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG22 HG23 ' A' ' 112' ' ' THR . 3.0 p -123.04 119.28 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.444 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 10.6 p -121.59 158.25 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 34.5 p-80 -75.76 1.13 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.8 p80 -117.37 -26.51 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.786 ' HA ' HD12 ' A' ' 82' ' ' LEU . 39.5 p -155.08 170.92 20.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 109' ' ' VAL . 95.4 mt -132.75 130.66 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.13 141.59 30.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' HG22 ' A' ' 24' ' ' VAL . 56.7 mt -144.44 130.77 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 44.8 p90 -140.63 123.73 16.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.1 p90 -123.7 34.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.15 9.29 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.0 mt -72.72 -35.08 67.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.9 m0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.775 0.321 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 14.2 mt -86.96 146.99 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -100.34 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -135.58 116.66 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -119.25 125.18 48.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.66 144.62 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 36.8 mt-10 -137.31 146.99 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -124.62 138.88 54.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 64.0 tt0 -88.61 143.13 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 129.72 24.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -98.83 -35.97 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 65' ' ' SER . 13.5 mmt -100.05 3.24 44.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.2 34.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.1 m -133.26 162.61 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CD2' ' HD3' ' A' ' 91' ' ' ARG . 83.4 m-85 -97.71 167.48 10.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.41 132.01 3.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -65.93 89.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -32.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.8 t80 -142.87 143.65 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 t -152.05 115.97 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.73 -151.96 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.62 27.12 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 -176.98 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.5 p -118.52 -37.98 3.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.2 ttt-85 -84.52 159.36 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 67.1 t60 -167.18 122.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.57 103.55 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.509 ' CG1' HD21 ' A' ' 82' ' ' LEU . 93.9 t -66.21 110.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -89.36 175.06 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 53.69 74.97 0.25 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 31' ' ' SER . 93.7 mt -131.14 167.29 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -107.14 153.37 41.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 135.11 29.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 56.92 43.9 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 m -122.94 138.82 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -85.09 143.48 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 87' ' ' LEU . 56.2 m-85 -142.11 113.82 7.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.8 mttm -89.29 137.5 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 107' ' ' VAL . 56.5 m-85 -136.8 146.18 45.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.594 ' HD3' ' CD2' ' A' ' 66' ' ' TYR . 7.4 ptt180 -122.52 131.0 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 20' ' ' HIS . 16.4 tp -91.43 121.42 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -108.01 147.99 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -144.75 146.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.54 HG23 ' HB3' ' A' ' 101' ' ' TYR . 25.4 m -136.83 113.46 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' GLU . 4.6 p -49.92 155.59 1.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 5.34 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.7 m -112.34 -33.01 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.19 -37.42 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.642 ' HB3' HD13 ' A' ' 16' ' ' LEU . 6.5 mm-40 -54.09 156.35 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.54 ' HB3' HG23 ' A' ' 95' ' ' THR . 29.8 p90 -158.77 163.0 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mm-40 -151.57 -175.06 5.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 38.3 m-85 -142.45 145.61 33.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.445 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -91.68 162.74 30.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.77 121.4 8.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' PRO . 84.0 t -36.45 136.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 m -122.18 103.27 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 87' ' ' LEU . 20.4 p -88.32 127.45 35.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.94 HG11 HG21 ' A' ' 24' ' ' VAL . 16.9 m -136.11 136.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.36 123.94 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -61.58 179.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.601 HG23 HG22 ' A' ' 27' ' ' VAL . 31.3 p -94.63 174.28 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLU . 14.8 ptt180 -80.81 140.67 35.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.58 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 15.4 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.1 pp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -75.3 131.41 40.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -45.59 139.17 4.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 173.61 10.72 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -109.3 159.49 31.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.82 142.24 47.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.355 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 156.73 62.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.686 HG11 ' OH ' ' A' ' 35' ' ' TYR . 50.9 t -94.28 149.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.951 HG21 HG11 ' A' ' 109' ' ' VAL . 55.6 t -108.41 97.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -77.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 57.5 tttt -90.8 129.37 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.0 p -124.98 104.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.442 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 20.2 p -104.45 175.86 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 33.5 p-80 -92.6 9.38 34.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 4.2 p80 -124.49 -27.37 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.6 m -153.65 173.66 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD13 HG23 ' A' ' 109' ' ' VAL . 73.7 mt -130.74 130.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -88.25 135.99 33.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 41.9 mt -140.84 133.28 28.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.686 ' OH ' HG11 ' A' ' 23' ' ' VAL . 53.2 p90 -140.67 127.71 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -127.8 36.15 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -77.61 16.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.93 -36.08 25.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 20' ' ' HIS . 5.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.2 m0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mp -87.38 149.37 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 54' ' ' PHE . 15.4 tpp180 -88.84 150.71 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 23.3 m-85 -139.85 112.1 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m -120.18 130.0 54.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 92' ' ' LEU . 33.1 mm -108.8 134.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 mt-10 -128.28 149.76 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 2.2 pp20? -123.69 138.23 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 25.6 tt0 -89.24 143.26 26.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.28 129.85 24.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.98 36.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -101.63 -33.68 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 14.2 mtt -96.71 2.37 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.02 35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 7.0 t -140.09 162.58 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 43.0 m-85 -98.11 170.21 9.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.18 129.66 2.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.473 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 87.8 t -64.41 92.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.0 pt -73.3 -32.83 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.3 t80 -142.98 143.89 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -151.84 125.16 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.33 -150.33 12.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 2.5 m-85 -121.1 28.58 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.83 -176.39 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.566 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 37.1 p -125.42 -39.24 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.595 HH21 HG21 ' A' ' 78' ' ' VAL . 36.2 ttt180 -90.06 152.07 21.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 72.0 t60 -162.5 117.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 HH21 ' A' ' 76' ' ' ARG . 40.2 t -106.54 105.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.6 t -65.14 106.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.22 171.68 9.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.62 60.36 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 82.2 mt -123.95 162.69 22.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -106.09 157.06 35.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.459 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 56.91 39.47 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.3 m -117.34 133.32 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.4 tm? -82.82 142.45 31.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.718 ' N ' HD13 ' A' ' 87' ' ' LEU . 57.5 m-85 -142.68 112.76 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 43.5 mttt -89.89 131.28 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 70.1 m-85 -130.09 151.61 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.422 ' NE ' ' CD2' ' A' ' 103' ' ' TYR . 2.5 ptm85 -129.89 129.46 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 20' ' ' HIS . 13.1 tp -91.34 126.55 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 21.3 tttt -116.03 143.96 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.25 145.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 53' ' ' ARG . 61.8 m -132.83 113.54 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' GLU . 85.7 p -53.44 153.79 6.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.745 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 12.05 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 96' ' ' SER . 5.4 t -117.43 -27.68 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.86 -30.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' SER . 13.0 mt-10 -60.2 153.73 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -157.58 166.41 32.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HB2' HD11 ' A' ' 16' ' ' LEU . 25.6 mm-40 -157.45 -175.56 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 14.0 m-85 -137.35 146.77 44.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.433 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.87 163.98 22.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.232 . . . . 0.0 112.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.7 t -40.17 134.44 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.8 m -120.73 102.52 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.83 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -83.93 127.85 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 24' ' ' VAL . 29.7 m -137.01 131.73 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.28 125.64 43.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.3 p -60.75 -179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 49.8 p -96.61 -179.44 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.92 161.79 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.9 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 94' ' ' VAL . 1.2 pt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -62.17 170.36 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -87.74 137.39 31.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.609 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -99.68 157.8 33.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.842 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.3 Cg_endo -69.78 138.64 38.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.73 140.87 43.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 t -85.85 151.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 60.8 t -110.73 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.61 -85.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -85.03 130.94 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG22 HG23 ' A' ' 112' ' ' THR . 7.1 p -120.44 116.74 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.2 p -118.23 164.44 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -83.1 6.57 18.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -124.56 -18.86 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.606 ' HA ' HD12 ' A' ' 82' ' ' LEU . 15.0 m -158.25 -179.71 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 ' CG2' ' A' ' 111' ' ' THR . 72.2 mt -143.7 126.27 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -82.26 138.93 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -144.57 133.24 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.8 p90 -140.95 119.73 12.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 43.5 p90 -114.01 38.52 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HG21 ' A' ' 75' ' ' THR . 13.5 t70 -81.44 26.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -98.72 -4.99 32.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.2 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 35.5 m0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD23 ' HD3' ' A' ' 97' ' ' PRO . 19.2 mt -92.84 153.0 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.8 148.49 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -138.28 112.07 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -113.14 133.65 54.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.641 HG22 HD11 ' A' ' 69' ' ' ILE . 25.1 mm -108.07 121.03 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -115.7 173.64 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.4 tp10 -153.18 155.49 36.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 33.3 tt0 -80.52 152.8 28.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 6.3 m-20 -113.44 116.84 45.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.42 30.92 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -99.06 -26.82 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.644 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 33.8 mmt -105.01 -4.94 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.7 OUTLIER 43.37 37.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -148.32 168.26 23.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 59' ' ' GLU . 2.9 m-85 -106.32 160.85 15.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 57' ' ' GLU . . . -145.42 -124.13 1.65 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' C ' ' A' ' 67' ' ' GLY . 96.3 t -157.25 106.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 56' ' ' ILE . 17.6 pt -85.5 -32.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.0 t80 -143.18 146.15 33.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.77 105.35 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.58 -164.14 24.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -103.12 -8.24 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.61 163.27 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.51 HG21 ' OD2' ' A' ' 37' ' ' ASP . 49.1 p -107.9 -26.27 10.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 51.0 ttp180 -101.74 153.0 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.0 t60 -163.7 109.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.1 t -96.79 101.14 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 58.3 t -59.68 105.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.3 172.03 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.88 75.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 31' ' ' SER . 96.0 mt -134.59 158.68 43.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -99.19 153.53 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.93 52.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.612 2.208 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 49.5 52.7 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 m -134.09 127.75 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.92 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.7 tm? -69.94 142.27 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.92 ' N ' HD13 ' A' ' 87' ' ' LEU . 46.9 m-85 -140.44 112.98 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HG3' HD11 ' A' ' 87' ' ' LEU . 38.0 mttm -89.2 135.83 33.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 60.3 m-85 -137.83 129.05 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' HD3' ' CD ' ' A' ' 57' ' ' GLU . 2.1 ptm180 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.1 tp -90.65 129.39 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.0 tttt -112.41 153.58 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.9 m -146.3 138.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.5 m -132.81 113.85 13.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -58.1 158.6 13.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.673 0.749 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.607 ' HD3' HD23 ' A' ' 52' ' ' LEU . 54.0 Cg_endo -69.77 0.97 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 t -102.13 -32.16 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.22 -27.18 2.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.96 153.0 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HB3' HG23 ' A' ' 95' ' ' THR . 54.8 p90 -155.61 143.33 19.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 27.2 mm-40 -130.97 174.98 9.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 27.5 m-85 -128.68 141.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.27 160.72 34.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.626 0.726 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.2 Cg_endo -69.69 114.86 3.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.404 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 10.3 p -41.48 138.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.2 m -121.46 103.0 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.863 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -79.99 122.07 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 16.8 m -131.31 127.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.1 124.12 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.5 ' CG2' HD11 ' A' ' 32' ' ' ILE . 71.7 p -58.7 178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.685 HG23 HG22 ' A' ' 27' ' ' VAL . 58.2 p -92.6 178.03 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -93.9 136.36 34.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -62.12 139.31 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 135.08 95.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.73 148.73 65.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -87.6 158.86 50.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.815 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.4 Cg_endo -69.75 139.3 39.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.78 141.28 44.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 35' ' ' TYR . 5.0 t -85.89 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.922 HG21 HG11 ' A' ' 109' ' ' VAL . 48.7 t -108.51 108.31 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.43 -83.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -82.25 125.99 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG12 HG23 ' A' ' 112' ' ' THR . 41.0 t -112.51 90.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -103.38 146.56 28.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 30' ' ' HIS . 23.4 p-80 -71.59 2.72 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 29' ' ' HIS . 92.8 m-70 -119.14 -26.01 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.27 174.94 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.796 HD11 HG22 ' A' ' 111' ' ' THR . 85.0 mt -143.58 111.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 26.2 tt0 -83.18 147.87 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 24' ' ' VAL . 7.3 mt -144.45 154.13 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 23' ' ' VAL . 46.9 p90 -152.38 117.54 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CH2' HG13 ' A' ' 56' ' ' ILE . 40.7 p90 -116.12 40.21 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.685 ' OD1' HG21 ' A' ' 75' ' ' THR . 1.9 t70 -79.66 14.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -88.27 14.03 10.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.9 m0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.72 140.99 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -86.43 148.94 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' HD11 ' A' ' 92' ' ' LEU . 31.7 m-85 -137.05 112.02 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -112.88 121.14 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.521 HG13 ' CH2' ' A' ' 36' ' ' TRP . 36.2 mm -102.42 132.78 47.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 28.9 mt-10 -123.38 157.8 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.79 134.71 48.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 45.3 tt0 -95.48 156.99 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -114.3 130.65 23.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.86 37.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.82 -35.29 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 5.0 mtt -95.59 -5.71 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 39.94 31.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -125.67 157.29 37.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 38.1 m-85 -102.13 171.03 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.09 124.63 1.27 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.546 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.497 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 88.1 t -59.66 102.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -82.9 -31.74 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 85.2 t80 -141.71 144.44 34.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -150.68 112.32 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.57 7.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.49 22.34 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.41 179.4 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.685 HG21 ' OD1' ' A' ' 37' ' ' ASP . 43.0 p -122.57 -38.86 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -86.38 143.06 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.8 t60 -159.58 125.5 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG23 ' C ' ' A' ' 32' ' ' ILE . 3.4 p -121.24 101.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.903 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 61.3 t -49.03 103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -79.29 151.81 30.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 67.43 83.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CG1' ' A' ' 79' ' ' VAL . 85.0 mt -136.39 158.78 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.44 150.72 37.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.73 142.74 48.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 56.43 44.51 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.5 m -128.49 135.53 49.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -80.22 143.06 34.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.86 ' N ' HD13 ' A' ' 87' ' ' LEU . 65.3 m-85 -141.04 113.81 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HG3' HD11 ' A' ' 87' ' ' LEU . 67.0 mttt -87.44 136.67 32.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.903 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 25.4 m-85 -137.03 134.21 36.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 8.1 ptt85 -118.28 143.12 46.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 54' ' ' PHE . 19.5 tp -108.29 121.02 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 48.8 tttt -113.02 145.08 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.8 m -134.22 143.05 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.1 m -133.88 112.65 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 16' ' ' LEU . 2.6 p -55.69 155.76 10.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.86 2.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -106.43 -30.94 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.98 -33.45 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.781 ' HB3' HD13 ' A' ' 16' ' ' LEU . 7.6 mm-40 -60.45 151.94 26.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 95' ' ' THR . 50.0 p90 -158.85 157.54 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -140.79 -174.97 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -139.12 140.55 37.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.1 p -92.45 161.03 33.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.702 0.763 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.78 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 8.1 p -44.3 134.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 22' ' ' PRO . 5.3 m -116.0 102.45 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.901 ' HB2' HD21 ' A' ' 87' ' ' LEU . 16.2 p -82.77 125.38 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.922 HG11 HG21 ' A' ' 24' ' ' VAL . 8.9 m -134.82 127.73 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.5 122.24 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.796 HG22 HD11 ' A' ' 32' ' ' ILE . 5.8 p -57.44 171.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.591 HG23 HG12 ' A' ' 27' ' ' VAL . 69.7 p -87.88 -177.29 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -95.68 136.66 35.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.1 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 16' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 74.6 m -65.34 141.59 58.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -62.13 137.66 95.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.29 37.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -76.28 161.68 74.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.46 42.94 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.356 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.48 57.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.634 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.3 t -89.17 157.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 109' ' ' VAL . 97.4 t -116.71 105.57 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.57 -77.0 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.19 131.48 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 112' ' ' THR . 60.7 t -118.32 99.17 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 3.7 p -102.72 149.54 24.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 50.6 p-80 -74.68 5.24 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 11.2 p80 -124.04 -12.58 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -162.14 178.48 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 109' ' ' VAL . 93.1 mt -139.3 123.74 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 78' ' ' VAL . 25.2 tt0 -82.29 137.03 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.66 137.78 32.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.634 ' OH ' HG11 ' A' ' 23' ' ' VAL . 34.4 p90 -145.05 120.72 10.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' LEU . 37.6 p90 -109.28 13.73 24.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TRP . 2.1 p30 -37.54 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.767 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -42.03 -51.98 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 4.7 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 47.3 m0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 40.5 mt -116.95 143.15 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -93.12 137.45 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -126.9 123.28 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 69' ' ' ILE . 14.9 mm -99.9 133.76 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 91' ' ' ARG . 4.0 mp0 -124.89 168.83 12.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.5 146.5 38.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.9 tt0 -91.04 147.46 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -108.74 125.79 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.49 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -100.09 -42.96 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mtt -86.05 -12.71 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 48.58 31.01 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -131.49 167.62 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -105.88 153.37 22.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.35 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 99.1 t -68.29 101.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 56' ' ' ILE . 35.2 pt -81.18 -35.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.59 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 68.9 t80 -141.61 144.5 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -150.48 131.27 14.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.43 -148.91 13.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -124.95 25.17 7.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 -179.98 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.497 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 65.6 p -117.81 -39.3 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 59.7 ttp180 -92.44 159.85 15.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 45.3 t60 -164.79 111.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' GLU . 42.4 t -99.89 97.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.542 ' CG1' HD21 ' A' ' 82' ' ' LEU . 58.2 t -55.47 104.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.69 163.8 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.425 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 68.36 64.2 3.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.7 mt -125.2 171.32 10.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -112.96 152.46 44.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.4 Cg_endo -69.78 135.69 31.04 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 61.18 41.08 13.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.688 HG22 ' CE1' ' A' ' 88' ' ' TYR . 22.8 m -124.73 141.99 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.08 147.08 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.688 ' CE1' HG22 ' A' ' 86' ' ' THR . 59.3 m-85 -142.09 136.43 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 22.6 mttm -107.8 136.47 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 35.7 m-85 -139.97 142.77 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' OE1' ' A' ' 57' ' ' GLU . 7.2 ptm180 -119.16 128.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 tp -90.55 131.53 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -125.4 154.83 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.48 152.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 101' ' ' TYR . 27.7 m -139.1 114.11 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 p -56.77 156.7 11.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.4 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -110.1 -32.01 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.92 -33.53 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.78 150.19 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.478 ' HB2' ' CE ' ' A' ' 93' ' ' LYS . 49.5 p90 -158.62 149.81 20.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.5 mm-40 -142.42 161.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.629 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 6.8 m-85 -115.04 145.31 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -95.44 160.05 31.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.57 7.33 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 95.2 t -42.84 140.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -124.45 118.3 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -95.92 129.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.918 HG11 HG21 ' A' ' 24' ' ' VAL . 24.2 m -138.08 140.08 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.13 125.68 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.469 HG22 ' CG1' ' A' ' 32' ' ' ILE . 50.0 p -62.92 -174.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.684 HG23 HG12 ' A' ' 27' ' ' VAL . 74.6 p -98.86 177.24 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 113' ' ' ARG . 0.6 OUTLIER -85.18 142.84 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -112.63 65.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -126.24 134.15 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.7 82.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -137.68 137.0 37.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.893 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -152.58 127.74 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.19 49.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ttp -137.0 130.11 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.31 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -126.36 143.35 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.95 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -78.52 130.32 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 13' ' ' VAL . 3.0 tptm 34.09 51.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 12' ' ' LYS . 36.9 t -164.65 141.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 14' ' ' VAL . 13.3 p -127.17 121.29 22.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 166.51 27.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -80.05 159.36 26.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 p -61.6 161.07 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -78.89 136.75 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.72 153.96 68.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -88.51 156.94 50.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.77 140.4 42.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.3 Cg_endo -69.71 142.45 48.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.408 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.602 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.9 t -87.03 153.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.101 HG21 HG11 ' A' ' 109' ' ' VAL . 58.6 t -109.62 104.47 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.02 -81.15 0.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -86.0 133.75 33.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 HG23 ' A' ' 112' ' ' THR . 59.0 t -121.59 109.53 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -111.8 148.84 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.582 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 25.6 p-80 -72.42 2.13 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -126.58 -7.51 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.72 174.02 13.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' CG1' HG22 ' A' ' 111' ' ' THR . 96.4 mt -141.13 121.37 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.906 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.2 tt0 -83.5 140.97 31.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 22' ' ' PRO . 22.1 mt -140.75 142.48 34.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.602 ' OH ' HG11 ' A' ' 23' ' ' VAL . 43.2 p90 -149.4 117.86 6.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 38.0 p90 -113.68 41.55 2.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.95 27.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -110.27 8.04 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 3.7 mp0 -112.3 -53.39 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.814 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -84.0 31.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 42' ' ' GLU . 54.0 mttt -54.74 -55.8 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -33.33 135.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -39.95 160.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' GLN . 34.6 ptt180 -81.58 43.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' ARG . 17.6 mm100 -36.47 115.91 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.81 179.77 40.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.19 31.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.6 tm0? -56.36 -29.0 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.66 -21.61 66.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -90.79 26.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -100.86 161.98 13.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -91.19 157.79 16.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -98.42 140.63 32.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -123.14 114.41 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -116.47 125.36 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -105.31 139.43 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' CG ' HG22 ' A' ' 68' ' ' VAL . 13.4 mt-10 -129.01 170.27 13.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.0 pt-20 -144.85 139.33 27.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -85.96 148.91 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -105.87 128.3 26.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -18.42 37.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.77 -36.42 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.48 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 32.4 mtm -97.5 1.23 48.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.9 OUTLIER 36.48 32.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.3 t -128.7 162.7 26.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 63.7 m-85 -98.66 158.63 15.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.3 121.97 1.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' GLU . 60.1 t -57.71 101.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 58' ' ' GLU . 30.0 pt -78.84 -29.46 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.457 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.9 t80 -142.09 148.88 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -151.21 113.13 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.189 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.06 -159.2 21.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.0 -7.37 15.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 156.61 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 27.4 p -102.75 -13.85 16.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.488 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.9 ttm180 -111.46 159.86 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 63.7 t60 -167.01 141.21 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.906 HG22 ' HA ' ' A' ' 33' ' ' GLU . 19.6 t -129.82 109.78 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 73.7 t -64.99 105.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -82.92 154.65 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.541 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 70.62 80.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 75.0 mt -135.42 171.85 13.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.7 153.59 49.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 136.57 33.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 62.02 38.96 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.735 HG22 ' CE1' ' A' ' 88' ' ' TYR . 24.0 m -122.74 136.69 54.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -89.67 148.07 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.735 ' CE1' HG22 ' A' ' 86' ' ' THR . 66.9 m-85 -142.06 133.77 26.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 31.6 m-85 -137.63 139.23 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.525 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 12.2 ptm180 -117.03 130.88 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 20' ' ' HIS . 18.4 tp -94.86 123.97 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -113.24 144.95 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.76 148.2 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -136.34 116.28 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -55.57 158.67 5.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 2.77 3.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.4 m -105.76 -32.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.6 -35.07 1.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.53 154.3 6.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -157.84 146.34 19.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 25.7 mm-40 -130.47 -175.03 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -137.24 146.05 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -92.99 157.68 38.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.21 8.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.0 t -37.28 136.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 90' ' ' PHE . 2.7 m -124.96 102.96 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.595 ' HB2' HD21 ' A' ' 87' ' ' LEU . 54.0 p -86.75 128.2 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.101 HG11 HG21 ' A' ' 24' ' ' VAL . 13.8 m -136.37 137.87 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.67 128.1 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.582 HG22 ' CG1' ' A' ' 32' ' ' ILE . 33.9 p -65.78 -179.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.483 HG23 HG12 ' A' ' 27' ' ' VAL . 22.6 p -93.52 169.13 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -78.57 150.8 32.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.582 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 mt-10 -58.2 119.55 7.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m -100.6 -59.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 177.08 178.19 46.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 173.02 11.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.8 t -96.1 -47.81 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.6 m -73.9 125.49 28.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' GLY . 88.2 p 36.61 42.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -66.65 -52.04 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.64 164.39 34.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -169.2 120.19 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -145.6 126.36 14.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.2 54.85 0.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.9 mmm -139.88 158.01 44.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -66.22 147.02 99.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.639 0.733 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.527 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 53.5 Cg_endo -69.83 -48.93 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 13' ' ' VAL . 2.0 p-80 -167.67 -175.03 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 11' ' ' HIS . 19.8 ptmt -33.02 -41.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 p -127.13 150.89 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 p -106.21 132.99 20.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.51 27.34 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.5 pp -53.15 176.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 16' ' ' LEU . 78.8 p -79.97 137.09 36.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -54.59 133.49 64.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.7 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.307 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -85.73 158.42 56.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.547 0.689 . . . . 0.0 110.825 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.8 Cg_endo -69.76 138.53 38.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.18 42.22 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 24' ' ' VAL . 4.8 t -81.59 160.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.075 HG21 HG11 ' A' ' 109' ' ' VAL . 87.1 t -117.69 96.46 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.81 -87.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -83.99 128.05 34.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 27' ' ' VAL . 13.6 p -121.24 105.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.506 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 54.5 p -110.11 174.2 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.59 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 7.2 p-80 -89.71 9.11 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.6 p80 -123.81 -28.43 3.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 82' ' ' LEU . 77.5 p -155.98 165.35 36.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 109' ' ' VAL . 48.4 mt -126.29 127.75 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' OE1' ' CG2' ' A' ' 78' ' ' VAL . 8.9 tp10 -83.27 140.03 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' N ' ' OE2' ' A' ' 33' ' ' GLU . 28.4 mt -140.9 131.88 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 50.9 p90 -143.04 118.77 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -117.09 31.75 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.694 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -77.26 41.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 37' ' ' ASP . 1.6 mm? -117.83 -12.98 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -92.62 -47.44 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.498 ' NE2' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -82.06 38.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -89.44 67.55 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' LYS . 29.8 tt0 -151.57 146.21 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' GLU . 6.3 ptpt -34.94 132.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mtm-85 -79.53 49.65 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -44.04 160.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.55 176.1 0.65 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.434 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.6 16.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -52.02 -38.64 57.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.09 -24.25 39.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.47 26.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -100.79 157.69 16.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.49 161.33 18.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -106.47 148.71 27.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -134.39 115.74 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m -122.82 122.43 38.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.55 HD11 ' CH2' ' A' ' 36' ' ' TRP . 8.5 mm -99.85 149.6 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 2.3 mp0 -138.56 165.71 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.57 141.5 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -90.36 158.32 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.5 m-20 -112.8 128.59 25.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -26.5 27.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 63' ' ' MET . 4.8 ptmm? -97.96 -43.55 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.456 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 7.4 mmt -79.1 -35.62 41.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 3.1 m170 72.39 25.35 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -127.59 158.55 37.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 47.4 m-85 -99.88 155.91 17.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.96 137.14 6.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.12 97.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.2 pt -77.72 -32.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 82.7 t80 -142.65 143.38 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.8 t -151.6 121.45 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.25 -151.97 11.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -118.84 25.91 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.67 178.97 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.551 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 19.2 p -120.53 -29.15 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 18.8 ttm105 -97.68 157.11 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.5 t60 -170.44 107.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.504 ' CG2' ' OE1' ' A' ' 33' ' ' GLU . 57.2 t -91.4 91.83 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.415 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.0 t -47.69 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -85.16 170.48 12.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 59.11 79.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 31' ' ' SER . 92.1 mt -137.97 161.92 35.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -106.83 153.7 40.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.657 0.742 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.65 38.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 56.9 46.67 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.2 m -130.18 136.2 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 108' ' ' SER . 1.8 tm? -85.38 141.5 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.3 m-85 -138.66 114.05 9.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.4 mttm -91.21 133.32 35.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 54.3 m-85 -132.29 149.15 52.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 11.9 ptm180 -124.73 126.92 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 93' ' ' LYS . 14.1 tp -90.81 130.83 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.1 tttt -117.49 149.34 40.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -141.29 145.9 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -142.29 118.55 10.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 159.79 33.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.66 0.743 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.27 2.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 m -103.62 -34.48 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.4 -36.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.86 151.35 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.572 ' HA ' HD21 ' A' ' 16' ' ' LEU . 43.7 p90 -158.45 155.22 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.695 ' HB2' HD11 ' A' ' 16' ' ' LEU . 2.7 mm-40 -145.07 -179.83 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -131.23 152.33 50.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.34 159.78 29.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 120.0 6.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.6 t -38.77 137.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 107' ' ' VAL . 12.4 m -127.16 102.68 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.859 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.1 p -83.99 125.54 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 24' ' ' VAL . 12.6 m -131.6 126.95 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.01 125.74 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 32' ' ' ILE . 78.2 p -64.54 178.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.0 p -94.56 175.38 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -84.36 147.88 26.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.59 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 14.0 pt-20 -94.12 -35.95 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 4.6 t -122.9 -63.59 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.91 179.25 36.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 108.49 2.09 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t -55.51 94.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -53.94 131.39 40.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.538 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -155.93 137.91 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m -123.08 168.33 12.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.99 174.74 37.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -98.21 171.76 8.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -144.47 166.04 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.2 163.18 11.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 tpt -108.4 -63.51 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.33 141.01 12.07 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.67 41.19 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' LYS . 3.4 t60 -59.25 176.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' HIS . 7.8 mtmp? -34.62 -52.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -87.67 140.35 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -90.9 116.84 67.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.58 0.705 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.42 27.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.36 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 100' ' ' GLU . 2.0 pt? -65.97 168.82 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.1 p -83.71 154.86 23.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt -60.97 137.26 93.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.68 150.14 68.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -81.46 158.64 68.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.0 Cg_endo -69.8 136.82 33.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.381 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 145.63 58.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 24' ' ' VAL . 21.2 t -83.48 155.66 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.105 HG21 HG11 ' A' ' 109' ' ' VAL . 88.3 t -111.59 110.33 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.74 -97.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -75.34 126.94 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.638 HG12 HG23 ' A' ' 112' ' ' THR . 88.5 t -114.58 98.22 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.427 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 4.6 p -104.42 152.03 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.585 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 25.1 p-80 -73.94 3.9 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.9 p80 -124.23 -3.69 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.8 p -175.31 167.73 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.713 HD13 HG23 ' A' ' 109' ' ' VAL . 96.7 mt -131.68 126.74 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HA ' HG22 ' A' ' 78' ' ' VAL . 38.3 tt0 -86.63 139.01 31.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -140.21 142.68 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -152.25 126.11 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 75' ' ' THR . 39.0 p90 -125.49 19.7 8.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.35 -28.02 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.675 ' H ' HD12 ' A' ' 38' ' ' LEU . 7.1 mp -40.2 -48.95 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 3.1 mm-40 -60.15 -53.06 62.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' OE1' ' CZ ' ' A' ' 54' ' ' PHE . 3.1 mp0 -76.17 49.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -91.35 31.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 43' ' ' LYS . 7.9 tp10 -121.37 147.87 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 28.8 mmtp -62.18 142.38 57.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -93.86 75.47 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.57 172.59 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 174.21 9.83 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.25 . . . . 0.0 112.323 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 46.1 tt0 -53.68 -39.16 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.11 -22.72 52.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -93.35 18.3 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 44.2 m0 -94.82 164.08 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 97' ' ' PRO . 3.4 mp -95.07 151.43 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -98.08 146.12 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CZ ' ' OE1' ' A' ' 40' ' ' GLN . 94.0 m-85 -131.14 120.24 23.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -117.04 136.85 52.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.548 HG22 HD11 ' A' ' 69' ' ' ILE . 41.6 mm -114.58 128.03 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 47.1 mt-10 -111.27 172.93 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 pp20? -148.37 131.38 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.7 tt0 -84.05 151.22 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' HIS . 21.9 m-20 -107.82 132.9 20.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.19 37.06 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 -28.26 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' SER . 6.5 mmt -106.55 -2.35 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 38.12 26.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.0 t -121.12 154.26 36.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 67.5 m-85 -95.01 158.59 15.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -152.87 135.84 5.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.57 111.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 56' ' ' ILE . 19.2 pt -95.38 -33.09 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 87.8 t80 -139.47 144.39 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.08 114.93 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.44 -151.45 7.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -123.23 25.78 8.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.954 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 174.19 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 49.4 p -113.11 -31.83 6.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 30.2 ttp180 -93.64 154.39 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 74.7 t60 -161.85 117.25 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 33' ' ' GLU . 12.2 t -106.81 98.63 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 HD21 ' A' ' 82' ' ' LEU . 98.9 t -63.16 114.73 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -95.61 -175.97 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.0 52.93 39.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 31.4 mt -114.8 161.63 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -105.46 155.86 37.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.03 36.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.361 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 53.85 50.5 16.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.2 m -131.79 130.43 41.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.902 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.0 tm? -74.57 142.56 44.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.837 ' N ' HD13 ' A' ' 87' ' ' LEU . 50.1 m-85 -142.02 114.33 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HG3' HD11 ' A' ' 87' ' ' LEU . 14.2 mtmt -90.05 145.45 25.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.615 ' O ' HG22 ' A' ' 107' ' ' VAL . 59.3 m-85 -146.94 151.78 37.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.581 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -123.66 147.09 47.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.3 tp -109.44 111.23 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 26.2 tttt -102.89 144.04 31.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.3 m -139.02 138.31 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 101' ' ' TYR . 61.9 m -125.72 110.28 13.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -53.98 158.41 3.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.694 0.759 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 54.4 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.382 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -100.69 -33.32 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.65 -24.08 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 16' ' ' LEU . 81.6 mm-40 -69.53 154.67 41.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' HB3' HG23 ' A' ' 95' ' ' THR . 39.6 p90 -158.01 158.7 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -151.64 175.88 11.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 8.7 m-85 -125.7 150.48 47.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.451 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 0.9 OUTLIER -94.24 165.44 17.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.1 Cg_endo -69.73 119.01 6.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -34.72 139.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 90' ' ' PHE . 3.0 m -124.56 102.71 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.902 ' HB2' HD21 ' A' ' 87' ' ' LEU . 8.7 p -85.23 125.51 32.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.105 HG11 HG21 ' A' ' 24' ' ' VAL . 15.6 m -134.56 129.36 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.71 122.56 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 32' ' ' ILE . 14.2 p -63.99 179.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.638 HG23 HG12 ' A' ' 27' ' ' VAL . 31.7 p -95.55 179.42 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -86.66 153.92 21.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.585 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt-20 -89.53 36.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.6 p -38.65 102.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.47 160.47 26.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.99 19.92 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.371 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -40.04 -55.78 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.5 m -67.33 151.53 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -64.39 152.2 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 p -157.18 124.48 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.99 121.41 1.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -52.09 138.58 25.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -43.87 125.76 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.18 -86.17 0.32 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptp -98.22 136.98 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.678 0.275 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -152.28 142.46 15.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' HG2' HG22 ' A' ' 14' ' ' VAL . 54.1 Cg_endo -69.71 -177.25 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' C ' ' A' ' 12' ' ' LYS . 1.7 p-80 -62.43 173.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -32.2 -58.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.97 135.76 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 10' ' ' PRO . 85.3 t -107.82 121.79 42.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.73 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.5 27.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.09 168.83 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -74.7 135.88 41.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 10.1 mtmt -53.82 140.82 49.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 156.91 62.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.43 157.24 47.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.8 Cg_endo -69.75 139.68 40.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.57 65.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.667 2.245 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.597 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.7 t -90.93 156.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.854 HG21 HG11 ' A' ' 109' ' ' VAL . 55.5 t -113.12 97.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.26 -82.78 0.44 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -85.94 127.12 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG22 ' CG1' ' A' ' 24' ' ' VAL . 60.1 t -116.69 108.07 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 24.6 p -112.21 151.85 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 20.2 p-80 -73.71 3.57 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 1.6 p80 -122.38 -7.22 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' THR . 52.6 p -170.66 177.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.635 HG13 HD12 ' A' ' 82' ' ' LEU . 95.4 mt -140.31 121.59 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.575 ' HA ' HG22 ' A' ' 78' ' ' VAL . 31.9 tt0 -81.53 136.12 35.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 23' ' ' VAL . 42.1 mt -138.83 144.77 39.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.4 p90 -151.37 121.73 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.3 p90 -116.85 20.4 13.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' OD1' HG21 ' A' ' 75' ' ' THR . 29.3 t70 -53.09 -19.83 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -48.42 -59.64 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -45.64 -22.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 1.5 mp0 -101.0 57.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -67.11 -59.51 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -56.48 155.53 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -70.25 146.31 50.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.1 mtm-85 -50.44 100.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -84.45 152.33 24.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.2 -175.08 1.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 166.49 27.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.527 ' HA ' ' CD1' ' A' ' 51' ' ' TRP . 34.3 tt0 -51.68 -41.71 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -47.76 -31.71 5.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -72.14 -31.14 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.527 ' CD1' ' HA ' ' A' ' 48' ' ' GLN . 37.4 m0 -38.48 157.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 11.5 mt -96.11 142.4 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -85.53 132.35 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.88 113.76 21.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -117.18 115.13 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mm -93.69 146.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 49.1 mt-10 -132.72 172.14 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' OE1' ' CG2' ' A' ' 69' ' ' ILE . 6.0 pt-20 -144.79 139.61 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.516 ' OE2' ' CZ ' ' A' ' 66' ' ' TYR . 39.9 tt0 -93.65 155.54 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.42 129.57 23.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.727 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -19.67 35.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.1 OUTLIER -104.4 -37.87 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.1 mtt -93.23 -6.96 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.5 m170 42.95 28.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -120.43 159.48 25.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.516 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 65.1 m-85 -102.27 152.88 20.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -148.09 141.98 9.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.33 113.83 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 20.6 pt -92.77 -31.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.574 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 80.7 t80 -142.65 145.25 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -150.38 116.9 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 -149.64 7.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -123.31 22.64 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.923 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.78 -179.36 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 79.1 p -117.68 -41.08 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 21.8 ttm105 -86.47 159.6 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.1 t60 -166.98 109.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.6 t -96.43 101.44 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.5 ' CG1' HD21 ' A' ' 82' ' ' LEU . 54.7 t -62.88 103.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.182 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.67 172.32 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 61.1 64.21 4.25 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.769 HD22 ' CE2' ' A' ' 88' ' ' TYR . 30.9 mt -125.63 163.39 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.89 150.23 37.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.07 31.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 5.2 mmm180 62.19 40.36 11.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.663 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.9 m -124.69 144.7 50.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.5 tp -93.84 147.51 23.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.769 ' CE2' HD22 ' A' ' 82' ' ' LEU . 68.2 m-85 -141.5 138.51 32.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 53.4 mttt -107.86 138.52 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 42.8 m-85 -144.14 135.2 25.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.413 ' NH2' ' CB ' ' A' ' 66' ' ' TYR . 17.3 ptt180 -116.18 135.96 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 20' ' ' HIS . 27.2 tp -94.19 129.79 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -118.68 153.81 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -145.48 146.95 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.455 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.2 m -136.92 111.08 8.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.47 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 2.6 p -54.48 156.07 6.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.666 0.746 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.37 -28.33 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.79 -33.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -55.51 149.28 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.455 ' HB3' HG23 ' A' ' 95' ' ' THR . 44.9 p90 -157.99 149.73 21.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' ' 18' ' ' LYS . 10.7 mm-40 -139.49 -175.69 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -136.13 147.56 47.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -98.38 159.25 31.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.34 6.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 3.1 p -42.39 140.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 107' ' ' VAL . 10.8 m -124.35 102.51 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.426 ' HB2' HD21 ' A' ' 87' ' ' LEU . 93.3 p -82.01 131.1 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.854 HG11 HG21 ' A' ' 24' ' ' VAL . 30.6 m -139.79 144.03 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.6 128.6 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.477 HG22 ' CG1' ' A' ' 32' ' ' ILE . 22.7 p -67.89 179.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.5 HG23 HG12 ' A' ' 27' ' ' VAL . 81.8 p -91.67 178.97 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -88.12 139.95 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.607 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 10.7 pt-20 -82.72 136.75 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.5 t -66.63 -44.4 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 141.38 133.2 2.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.45 27.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.7 p -98.6 165.41 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.1 m -63.46 118.92 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -128.93 -53.12 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -39.05 147.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.32 -176.48 47.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -112.98 148.99 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -80.74 175.48 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.03 170.54 12.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.7 mmt -65.87 105.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -136.1 138.75 28.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HG3' ' CD ' ' A' ' 15' ' ' PRO . 53.6 Cg_endo -69.76 -172.35 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 1.008 ' O ' HG12 ' A' ' 13' ' ' VAL . 3.3 p-80 -153.83 146.15 23.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 11' ' ' HIS . 2.6 ptmm? 40.1 25.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' O ' ' A' ' 11' ' ' HIS . 7.4 p -175.91 145.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.7 p -119.32 123.11 28.95 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' CD ' ' HG3' ' A' ' 10' ' ' PRO . 54.0 Cg_endo -69.7 167.71 23.57 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.637 2.224 . . . . 0.0 112.398 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' N ' ' A' ' 102' ' ' GLU . 1.2 pt? -92.88 169.18 10.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -66.3 152.54 44.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -77.67 134.54 65.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.479 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.5 Cg_endo -69.8 157.44 60.29 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.543 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -93.25 158.24 37.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.91 41.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.33 62.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.1 t -89.6 149.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.905 HG21 HG11 ' A' ' 109' ' ' VAL . 88.2 t -108.22 95.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.85 -82.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -84.03 136.31 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.04 103.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 68.1 p -110.39 171.27 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 9.4 p-80 -88.9 7.65 33.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 8.6 p80 -120.5 -29.57 4.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.6 m -153.52 173.46 15.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.62 HD13 HG23 ' A' ' 109' ' ' VAL . 73.9 mt -132.73 126.81 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HA ' HG22 ' A' ' 78' ' ' VAL . 30.8 tt0 -83.29 139.7 32.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -144.79 142.0 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' OH ' HG11 ' A' ' 23' ' ' VAL . 54.1 p90 -151.66 122.03 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.529 ' CD2' ' O ' ' A' ' 75' ' ' THR . 33.9 p90 -111.3 10.25 21.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' GLN . 1.9 p-10 -39.51 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' TRP . 8.0 mt -42.5 -55.39 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 12.9 mt-10 -63.51 -21.93 66.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.64 ' OE1' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -90.53 72.34 6.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLU . 35.4 mmtm -107.28 -67.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -37.36 126.65 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -48.09 146.98 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 110.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -84.22 104.16 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.0 -163.85 43.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.21 39.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 63.3 tt0 -45.35 -44.82 12.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -45.96 -35.26 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -85.65 31.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.536 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 33.0 m0 -105.72 164.72 11.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.78 158.72 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -108.3 146.21 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.9 m-85 -131.12 111.24 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.1 m -112.95 112.02 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.52 142.08 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 32.1 mt-10 -130.68 167.6 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -138.96 140.36 38.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 33.2 tt0 -83.73 160.26 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 2.4 t0 -113.48 123.6 32.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD2' ' OD1' ' A' ' 60' ' ' ASP . 54.0 Cg_endo -69.75 -20.13 35.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG2' ' OD1' ' A' ' 60' ' ' ASP . 5.3 ptmm? -111.89 -44.29 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.492 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 15.5 mmt -80.65 -18.19 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 53.27 36.43 22.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -132.63 155.2 49.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 91' ' ' ARG . 60.9 m-85 -95.85 151.38 19.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.46 134.72 5.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -68.31 97.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.75 0.31 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 70' ' ' TYR . 44.6 pt -75.06 -36.52 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.491 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.2 t80 -142.79 144.38 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -151.69 114.55 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -168.8 -149.29 6.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -123.96 26.77 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.74 -174.97 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.64 HG22 ' OE1' ' A' ' 40' ' ' GLN . 28.4 p -120.81 -40.54 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 29.4 ttp180 -91.2 158.54 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 59.7 t60 -165.55 108.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 33' ' ' GLU . 55.7 t -97.62 100.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.1 t -60.81 109.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -89.76 174.59 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.71 57.31 20.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 88' ' ' TYR . 81.9 mt -120.43 158.35 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -105.94 157.95 33.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.707 0.765 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.7 54.75 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 52.55 45.88 27.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.45 ' CG2' ' CE2' ' A' ' 88' ' ' TYR . 79.6 m -126.52 133.71 51.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.871 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.2 tm? -84.75 142.08 30.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.859 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.6 m-85 -142.51 114.45 8.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HG3' HD11 ' A' ' 87' ' ' LEU . 61.2 mttt -90.0 135.25 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.623 ' O ' HG22 ' A' ' 107' ' ' VAL . 29.7 m-85 -133.56 137.23 45.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 13.2 ptm180 -117.8 129.46 55.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 20' ' ' HIS . 24.6 tp -91.55 128.61 37.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -118.41 144.47 45.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 54' ' ' PHE . 3.4 m -135.19 147.13 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.7 m -139.29 114.44 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 159.64 7.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 1.5 4.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 t -103.75 -35.6 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.75 -34.41 0.95 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -54.33 149.84 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.438 ' N ' HD22 ' A' ' 16' ' ' LEU . 41.6 p90 -158.17 140.75 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' N ' HD21 ' A' ' 16' ' ' LEU . 9.7 mm-40 -126.74 -175.05 3.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -137.62 144.48 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -93.64 161.28 30.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.3 Cg_endo -69.75 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.4 t -40.87 138.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 90' ' ' PHE . 16.5 m -123.84 102.41 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.871 ' HB2' HD21 ' A' ' 87' ' ' LEU . 26.3 p -85.64 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.905 HG11 HG21 ' A' ' 24' ' ' VAL . 15.9 m -138.33 131.56 40.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.31 124.46 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.2 p -62.64 179.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 28.2 p -96.37 -177.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 162.55 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 18.4 pt-20 -115.06 -38.46 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 10.4 m -84.26 -54.13 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.37 -166.77 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 t -107.73 144.38 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.3 p -116.66 147.21 42.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -89.94 85.55 6.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -174.17 130.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.85 -44.61 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -160.37 169.9 22.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -95.24 152.95 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.32 148.96 17.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.58 169.72 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.0 136.2 20.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 12' ' ' LYS . 17.5 t60 -50.33 171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 81.9 tttt -36.13 -47.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.1 t -94.93 144.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' HD2' ' A' ' 15' ' ' PRO . 6.9 p -84.61 134.48 42.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' HD2' HG23 ' A' ' 14' ' ' VAL . 53.0 Cg_endo -69.79 166.72 26.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 102' ' ' GLU . 3.9 pp -68.11 173.16 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 p -79.17 128.81 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -44.11 138.81 3.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 53.6 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -84.59 157.23 61.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.894 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HB2' HG11 ' A' ' 107' ' ' VAL . 54.1 Cg_endo -69.77 140.0 41.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.403 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.42 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.1 Cg_endo -69.74 141.03 44.22 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG11 ' OH ' ' A' ' 35' ' ' TYR . 42.2 t -83.64 153.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.763 HG21 HG11 ' A' ' 109' ' ' VAL . 75.8 t -114.5 97.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.85 -83.65 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -85.04 130.38 34.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 112' ' ' THR . 8.1 p -118.86 106.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 21.6 p -107.47 160.47 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 56.2 p-80 -81.03 5.41 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 6.3 p80 -124.74 -16.18 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 97.2 p -161.31 171.62 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' A' ' 82' ' ' LEU . 30.1 mt -132.6 126.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.7 tt0 -80.07 140.98 36.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 22' ' ' PRO . 49.5 mt -142.01 140.01 32.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.707 ' OH ' HG11 ' A' ' 23' ' ' VAL . 38.8 p90 -152.22 120.53 6.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.501 ' CH2' HG13 ' A' ' 56' ' ' ILE . 44.7 p90 -124.9 39.5 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 17.6 p-10 -80.36 18.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -89.99 -41.49 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -55.95 -65.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.776 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -77.9 47.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -115.11 43.66 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -110.32 -41.82 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -174.62 122.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -111.9 -31.95 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -39.52 105.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.17 -163.14 30.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.22 13.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -87.28 -42.9 12.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -52.67 -17.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -90.49 24.46 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -106.41 162.15 13.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.72 145.0 27.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -86.06 151.13 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.05 118.18 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 m -120.65 114.6 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.501 HG13 ' CH2' ' A' ' 36' ' ' TRP . 25.1 mm -97.63 143.65 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 68' ' ' VAL . 5.2 mp0 -133.21 171.82 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 16.4 pt-20 -145.07 143.42 30.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 51.5 tt0 -92.34 156.82 16.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' HIS . 23.2 m-20 -113.12 127.46 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.02 37.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.0 -36.06 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 30.1 mmt -96.56 -3.08 43.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' ASP . 14.4 m-70 39.4 26.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.4 m -121.92 164.64 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 76.2 m-85 -105.77 170.19 8.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.12 131.68 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 76.2 t -60.67 104.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 41.0 pt -85.1 -30.91 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.538 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 54.3 t80 -143.15 143.14 31.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -152.51 129.51 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.39 -150.11 13.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -121.18 23.05 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.964 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.82 166.49 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 75.0 p -109.89 -24.01 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 34.1 ttm-85 -99.07 159.55 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 78.5 t60 -165.78 159.69 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' GLU . 64.3 t -147.43 117.65 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.53 ' CG1' HD21 ' A' ' 82' ' ' LEU . 72.9 t -81.66 107.94 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -89.37 178.62 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 52.51 72.72 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.825 HD22 ' CE2' ' A' ' 88' ' ' TYR . 67.9 mt -130.31 169.33 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.35 149.72 39.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.697 0.761 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.447 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.8 138.98 38.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 58.65 38.84 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.662 HG22 ' CE1' ' A' ' 88' ' ' TYR . 16.6 m -123.0 144.35 49.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.7 tp -93.89 146.97 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.825 ' CE2' HD22 ' A' ' 82' ' ' LEU . 47.4 m-85 -139.26 138.26 36.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -108.78 136.13 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 36.7 m-85 -139.9 144.21 37.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLU . 5.7 ptm180 -122.62 130.88 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 56' ' ' ILE . 12.5 tp -96.88 131.33 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 103' ' ' TYR . 2.3 tttm -118.03 144.53 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 93' ' ' LYS . 1.5 m -133.76 138.77 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -121.86 108.09 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HB3' ' CD2' ' A' ' 16' ' ' LEU . 4.4 p -52.96 155.46 4.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 4.39 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 m -103.9 -28.16 11.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.64 -21.88 3.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.51 160.53 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' CD2' ' HE3' ' A' ' 93' ' ' LYS . 14.3 p90 -155.84 170.08 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.565 ' HB2' HD11 ' A' ' 16' ' ' LEU . 43.3 mm-40 -159.5 169.3 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.601 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 4.4 m-85 -119.63 151.2 39.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.2 p -92.83 160.44 34.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' VAL . 53.4 Cg_endo -69.73 120.52 7.3 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' PRO . 86.2 t -36.29 130.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 21' ' ' PRO . 10.5 m -120.56 102.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.583 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.4 p -86.54 128.96 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.763 HG11 HG21 ' A' ' 24' ' ' VAL . 16.7 m -137.66 139.98 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.26 130.46 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.0 p -66.54 -174.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 27' ' ' VAL . 72.3 p -98.98 170.55 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -76.76 150.4 36.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 76.3 mt-10 -56.91 -39.09 73.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 t 61.76 42.93 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.71 61.9 0.47 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.37 2.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' SER . 17.7 t -154.47 118.61 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' SER . 1.2 t -36.08 122.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 m -83.92 81.32 8.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 117.1 7.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 77.82 0.29 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -78.01 123.93 27.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -66.7 96.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.34 96.54 1.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ptm -124.34 122.0 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.307 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.19 148.78 7.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.38 2.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' LYS . 10.8 p-80 -50.19 172.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' HIS . 28.3 ttpt -36.35 -46.12 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -94.15 138.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.98 123.21 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.59 27.03 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.36 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.5 pp -56.35 136.59 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.15 159.04 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -59.77 136.31 89.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.77 147.59 63.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.441 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -79.4 157.06 75.63 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 110.874 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.42 45.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.89 68.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.643 2.229 . . . . 0.0 112.322 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.751 HG11 ' OH ' ' A' ' 35' ' ' TYR . 59.3 t -91.46 153.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.842 HG21 HG11 ' A' ' 109' ' ' VAL . 98.4 t -108.57 95.16 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.14 -85.89 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -82.71 134.53 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.92 HG12 HG23 ' A' ' 112' ' ' THR . 90.3 t -122.43 111.27 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.423 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 75.6 p -118.64 157.59 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.635 ' CD2' ' CB ' ' A' ' 114' ' ' GLU . 18.6 p-80 -80.85 6.81 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.5 p80 -124.54 -21.26 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -153.52 178.02 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 HG23 ' A' ' 109' ' ' VAL . 96.9 mt -142.35 121.72 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HA ' HG22 ' A' ' 78' ' ' VAL . 23.5 tt0 -81.87 140.75 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 mt -141.44 134.87 29.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.751 ' OH ' HG11 ' A' ' 23' ' ' VAL . 50.4 p90 -144.17 124.43 13.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.482 ' CD2' ' O ' ' A' ' 75' ' ' THR . 40.8 p90 -121.49 21.67 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -51.67 -22.87 3.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 38' ' ' LEU . 1.6 mm? -43.01 -71.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' HB2' ' NE2' ' A' ' 40' ' ' GLN . 11.7 mt-10 -41.44 -29.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.607 ' NE2' ' CZ ' ' A' ' 54' ' ' PHE . 10.4 mm-40 -80.94 43.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -61.39 -55.11 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 151.41 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLN . 45.2 mtpt -85.58 150.11 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.76 75.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.8 tp-100 -71.84 -46.53 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.71 -178.71 44.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 160.37 49.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -45.07 -46.85 11.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -54.3 -42.96 70.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -51.94 -34.56 42.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.444 ' C ' ' O ' ' A' ' 50' ' ' GLN . 33.2 m0 -34.68 151.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 13.2 mt -90.9 156.14 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -98.25 147.56 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CZ ' ' NE2' ' A' ' 40' ' ' GLN . 62.6 m-85 -137.95 112.03 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -106.41 136.05 46.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.87 119.18 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 68' ' ' VAL . 31.7 mt-10 -111.44 172.0 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -142.43 135.19 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -85.99 165.21 16.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -126.93 132.32 24.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -22.9 31.64 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -101.33 -45.53 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 21.1 mtt -79.8 -24.62 41.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 56.9 36.67 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -137.91 158.18 44.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.491 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 96.6 m-85 -95.11 157.25 15.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -149.53 125.68 2.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 57' ' ' GLU . 45.6 t -61.4 96.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 38.6 pt -77.82 -29.71 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -143.04 143.58 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -150.73 114.11 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.43 -149.61 6.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -125.69 25.32 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.57 173.59 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.482 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 64.6 p -109.21 -37.72 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 7.9 ttm105 -88.47 154.14 20.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.5 t60 -165.09 120.61 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.2 t -107.49 103.78 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.483 ' CG1' HD21 ' A' ' 82' ' ' LEU . 73.8 t -62.01 107.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.89 163.81 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.87 67.08 2.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 69.2 mt -126.49 159.05 34.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -101.57 152.09 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.22 39.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? 55.89 48.2 18.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.7 m -130.84 138.6 49.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.5 tm? -83.49 143.57 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 87' ' ' LEU . 60.2 m-85 -142.43 113.63 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.7 mtmt -88.58 138.96 30.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 58.4 m-85 -140.9 131.39 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 5.6 ptm85 -109.34 128.43 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 20' ' ' HIS . 12.6 tp -91.49 130.49 37.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 9.8 tttt -115.31 155.01 28.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -146.78 139.01 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.613 HG23 ' HB3' ' A' ' 101' ' ' TYR . 20.1 m -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.9 m -60.55 159.15 26.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.68 0.753 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -106.49 -34.07 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.78 -34.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' HB2' HD23 ' A' ' 16' ' ' LEU . 33.6 mt-10 -51.46 145.95 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.613 ' HB3' HG23 ' A' ' 95' ' ' THR . 52.4 p90 -158.49 148.83 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -142.31 -176.65 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 31.7 m-85 -132.74 145.89 51.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.88 161.38 31.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.725 0.774 . . . . 0.0 110.808 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.5 Cg_endo -69.82 117.5 5.12 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.6 p -40.27 129.49 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 90' ' ' PHE . 23.7 m -115.68 107.23 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.803 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.5 p -88.79 118.02 28.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.842 HG11 HG21 ' A' ' 24' ' ' VAL . 28.4 m -126.46 133.38 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.99 129.96 46.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.457 HG22 ' CG1' ' A' ' 32' ' ' ILE . 63.2 p -64.82 -174.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.92 HG23 HG12 ' A' ' 27' ' ' VAL . 54.1 p -101.91 173.07 6.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CD ' ' H ' ' A' ' 116' ' ' GLY . 0.3 OUTLIER -76.65 146.39 38.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.635 ' CB ' ' CD2' ' A' ' 29' ' ' HIS . 11.0 pt-20 -93.87 -38.97 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' GLY . 65.2 p -37.0 -41.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.47 ' H ' ' CD ' ' A' ' 113' ' ' ARG . . . 35.42 -145.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 116' ' ' GLY . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -135.7 155.14 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 120' ' ' GLY . 4.9 t -136.13 152.48 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 119' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 70.5 p -101.67 42.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 21.4 t -38.14 -46.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.91 128.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -170.7 118.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -147.61 140.96 25.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.78 153.57 10.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptp -110.21 134.12 52.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.749 0.309 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.58 145.88 31.08 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.653 0.739 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.16 15.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.563 ' CD2' ' H ' ' A' ' 12' ' ' LYS . 4.0 p80 -99.54 -53.3 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.563 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -135.05 -33.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 m -76.2 152.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.7 p -118.55 116.08 35.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 166.48 27.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.0 pp -95.36 153.22 17.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 16' ' ' LEU . 18.3 m -68.91 140.34 55.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 102' ' ' GLU . 9.1 mtmt -54.31 136.81 60.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.65 147.17 62.95 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.494 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -80.22 157.99 72.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.79 142.73 48.58 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' HD22 ' A' ' 34' ' ' LEU . 54.0 Cg_endo -69.74 141.46 45.37 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.392 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 21.8 t -84.06 151.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.901 HG21 HG11 ' A' ' 109' ' ' VAL . 87.7 t -111.46 103.18 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.83 -80.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -87.84 131.49 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -123.52 112.73 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.52 ' HB ' ' CE1' ' A' ' 30' ' ' HIS . 47.4 p -115.96 154.48 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 13.8 p-80 -74.4 4.45 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' HB ' ' A' ' 28' ' ' THR . 2.5 p80 -122.95 -19.1 6.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -160.27 167.3 27.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.43 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -129.44 131.75 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' HA ' HG22 ' A' ' 78' ' ' VAL . 42.6 tt0 -89.44 135.73 33.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 22' ' ' PRO . 32.2 mt -141.12 136.2 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.0 p90 -144.15 127.28 16.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.492 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.5 p90 -124.07 41.39 3.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.57 19.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -92.97 -11.24 33.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.494 ' CD ' ' CE1' ' A' ' 20' ' ' HIS . 11.3 mm-40 -90.56 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.809 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -77.35 44.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 10.2 mmtm -60.6 -56.04 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.2 138.25 26.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -60.92 168.26 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -81.48 147.21 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -101.51 -45.78 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.73 -158.22 22.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 165.27 31.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.617 2.211 . . . . 0.0 112.381 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 51' ' ' TRP . 37.6 tt0 -56.62 -37.72 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -49.47 -29.71 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 51' ' ' TRP . 70.2 mm-40 -74.41 -39.46 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.449 ' CD1' ' HA ' ' A' ' 48' ' ' GLN . 33.3 m0 -34.05 144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -76.77 165.19 25.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -107.95 138.72 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -122.7 120.09 32.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 m -120.25 130.82 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.492 HD11 ' CH2' ' A' ' 36' ' ' TRP . 19.5 mm -108.16 132.65 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 20.5 mt-10 -121.16 153.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 3.1 pp20? -122.88 134.09 54.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 27.2 tt0 -83.28 153.67 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 20.7 m-20 -113.65 127.07 27.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.703 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.06 28.16 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -99.75 -31.56 11.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.608 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 7.5 mmt -100.95 4.61 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 63' ' ' MET . 1.5 p-80 30.67 37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 t -134.38 163.09 30.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 93.2 m-85 -101.15 167.19 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.77 126.97 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.3 t -59.15 101.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 31.2 pt -84.7 -33.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 69.1 t80 -139.38 145.1 38.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.4 t -152.05 112.18 4.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.84 -158.02 15.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.71 21.73 14.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.83 169.42 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.479 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 26.8 p -109.48 -21.18 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.3 ttp180 -104.61 157.02 17.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 44.5 t60 -163.91 112.16 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.6 t -100.83 98.98 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 72.5 t -59.27 107.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -89.14 166.51 13.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 64.02 68.88 1.49 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.573 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 76.7 mt -129.12 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -103.6 153.88 38.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 140.22 42.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 56.9 46.21 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.9 m -128.81 134.21 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 108' ' ' SER . 1.5 tm? -82.22 142.83 31.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.72 ' N ' HD13 ' A' ' 87' ' ' LEU . 51.7 m-85 -140.74 114.67 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 62.3 mttt -88.31 138.34 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 51.6 m-85 -138.11 141.76 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 14.4 ptm180 -123.56 130.88 53.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 93' ' ' LYS . 16.8 tp -92.4 128.69 38.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.416 ' N ' HD12 ' A' ' 92' ' ' LEU . 27.8 tttt -118.15 151.73 37.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.66 141.2 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.8 m -128.62 109.11 11.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 p -51.63 155.5 2.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.32 2.86 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -107.15 -29.01 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.52 -30.4 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.15 152.95 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -158.06 143.43 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.7 mm-40 -130.69 179.97 5.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -134.41 141.75 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -92.61 159.22 36.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 118.73 5.85 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 4.7 p -40.46 142.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.8 m -124.47 102.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.81 ' HB2' HD21 ' A' ' 87' ' ' LEU . 2.5 p -84.25 117.49 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.901 HG11 HG21 ' A' ' 24' ' ' VAL . 28.3 m -130.78 129.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.07 132.85 43.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.9 p -68.51 -175.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 58.9 p -97.18 -174.82 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -99.36 132.09 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.595 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -60.43 178.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.405 ' C ' ' OE2' ' A' ' 114' ' ' GLU . 59.6 p -113.1 126.38 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -157.33 -158.0 8.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -29.17 24.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.5 m -43.14 103.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.9 m -127.77 -47.36 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -44.16 -44.64 7.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m -50.54 161.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.27 111.8 1.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 t -168.84 154.55 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -172.38 170.41 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.39 73.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.0 mtm -126.52 123.77 38.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.707 0.289 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -91.99 138.67 24.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.03 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -61.57 -174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -39.95 -64.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -76.18 139.19 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 15' ' ' PRO . 95.6 t -88.72 136.69 30.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 14' ' ' VAL . 54.1 Cg_endo -69.83 166.43 27.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.1 pt? -69.18 172.02 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -73.67 155.92 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -75.52 132.14 76.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.68 137.87 36.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.398 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CD2' ' CD ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -72.68 162.89 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.86 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.0 Cg_endo -69.79 140.59 42.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.586 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.77 140.41 42.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.639 HG11 ' OH ' ' A' ' 35' ' ' TYR . 38.2 t -88.32 160.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.987 HG21 HG11 ' A' ' 109' ' ' VAL . 29.6 t -116.4 108.54 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.81 -88.05 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 85.1 tttt -79.9 139.05 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.67 113.84 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.457 ' CG2' ' HE2' ' A' ' 26' ' ' LYS . 60.7 p -123.9 153.06 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 17.6 p-80 -74.75 5.55 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 17.2 p80 -122.63 -8.29 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 82' ' ' LEU . 58.8 p -173.32 169.58 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.739 HD13 HG23 ' A' ' 109' ' ' VAL . 68.0 mt -132.44 127.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 24' ' ' VAL . 22.4 tt0 -80.46 139.85 36.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 90' ' ' PHE . 20.3 mt -143.56 128.87 18.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' OH ' HG11 ' A' ' 23' ' ' VAL . 32.2 p90 -136.21 130.43 33.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.497 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.6 p90 -124.48 34.22 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.537 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 4.9 p-10 -64.32 -2.52 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.833 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.61 -24.07 64.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.608 ' CD ' ' CD2' ' A' ' 20' ' ' HIS . 6.2 mm-40 -76.72 -70.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -80.47 42.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -51.89 -58.05 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -46.45 155.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -68.8 146.44 52.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.456 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 15.5 mmt180 -94.96 46.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -41.71 -59.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.44 177.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 156.05 63.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 60.8 tt0 -52.15 -42.36 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -49.32 -23.67 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -95.17 27.74 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.517 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 38.9 m0 -104.83 158.67 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp -92.23 158.25 16.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -100.13 145.46 27.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.708 ' CD1' HD11 ' A' ' 92' ' ' LEU . 41.4 m-85 -130.85 118.61 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -117.04 113.53 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mm -94.99 127.53 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' CG ' HG22 ' A' ' 68' ' ' VAL . 17.6 mt-10 -117.37 168.21 10.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.12 134.06 43.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -90.3 153.42 20.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' HIS . 8.4 m-20 -116.42 128.5 25.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.24 36.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -103.31 -37.86 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.5 mmt -93.42 -10.16 36.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.5 m-70 45.71 26.63 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -119.32 161.6 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -101.78 153.02 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.22 123.5 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.461 HG22 ' CG ' ' A' ' 57' ' ' GLU . 76.1 t -64.62 99.92 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.1 pt -81.35 -32.04 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.443 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 70.5 t80 -142.6 144.21 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 t -150.77 113.14 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.36 -148.88 6.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -122.97 21.62 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.23 179.69 6.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 70.9 p -118.28 -36.06 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 35.5 ttp180 -96.34 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG2' ' A' ' 76' ' ' ARG . 59.6 t60 -164.28 109.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.4 t -96.38 101.02 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' CG1' HD21 ' A' ' 82' ' ' LEU . 79.1 t -58.77 107.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -88.57 167.51 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.51 61.13 6.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.8 mt -120.23 163.12 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -103.8 151.53 38.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 139.54 40.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 57.34 41.98 25.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 88' ' ' TYR . 17.9 m -125.34 144.25 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.1 tp -93.5 147.49 22.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 86' ' ' THR . 61.6 m-85 -142.35 139.7 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 27.7 mttm -106.22 132.0 52.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 107' ' ' VAL . 46.9 m-85 -139.93 131.97 27.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.567 HH12 ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -111.64 173.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.708 HD11 ' CD1' ' A' ' 54' ' ' PHE . 12.6 tp -133.21 108.11 8.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 55.4 tttt -101.35 140.33 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.423 HG12 ' CE1' ' A' ' 54' ' ' PHE . 1.8 m -129.5 148.44 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.0 m -135.53 104.97 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' GLU . 2.2 m -45.94 153.15 0.68 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.23 2.91 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -105.17 -27.65 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 142.53 -27.12 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 96' ' ' SER . 68.7 mm-40 -67.39 156.77 35.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -158.17 162.3 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.5 mm-40 -145.92 -175.58 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 9.8 m-85 -139.81 140.42 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.567 ' N ' HH12 ' A' ' 91' ' ' ARG . 1.7 p -92.79 157.88 38.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 11.6 p -38.29 146.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 90' ' ' PHE . 4.0 m -132.72 102.82 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 87' ' ' LEU . 94.9 p -78.48 138.51 38.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.987 HG11 HG21 ' A' ' 24' ' ' VAL . 28.6 m -145.14 141.1 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.48 128.43 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.595 HG22 ' CG1' ' A' ' 32' ' ' ILE . 42.7 p -68.54 -175.3 0.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.6 p -97.84 -176.18 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -90.25 150.2 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.56 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 6.8 pt-20 -93.19 143.46 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 t -43.76 113.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.79 175.12 35.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.68 18.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.5 p -137.09 176.34 8.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.2 t -108.96 132.5 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -160.17 162.19 33.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 29.0 t -103.45 -44.42 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.32 65.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -82.76 141.2 32.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.82 53.51 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.14 155.88 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -145.78 153.17 50.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -178.3 2.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' LYS . 24.2 t60 -63.22 174.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' HIS . 1.8 tppp? -37.12 -61.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.12 139.9 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.9 t -76.09 128.19 83.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 166.52 27.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.18 171.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -77.4 166.26 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -81.85 134.31 50.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.81 159.07 54.72 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -94.9 162.98 23.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.841 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 20' ' ' HIS . 53.7 Cg_endo -69.78 142.26 47.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.617 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.3 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG11 ' OH ' ' A' ' 35' ' ' TYR . 12.6 t -85.25 151.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.847 HG21 HG11 ' A' ' 109' ' ' VAL . 58.4 t -115.98 103.48 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.99 -77.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.79 130.87 36.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.91 112.68 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.419 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 49.0 p -114.51 151.73 32.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 29.7 p-80 -73.74 2.18 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.1 p80 -121.7 -12.04 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.496 ' HA ' HD12 ' A' ' 82' ' ' LEU . 99.4 p -166.48 169.09 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.76 HD13 HG23 ' A' ' 109' ' ' VAL . 65.3 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -81.72 130.28 35.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 22' ' ' PRO . 19.6 mt -134.76 141.85 46.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 23.0 p90 -150.25 125.42 10.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.487 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.3 p90 -118.27 33.17 5.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 38' ' ' LEU . 3.2 p-10 -74.6 44.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD22 ' C ' ' A' ' 37' ' ' ASP . 2.6 mm? -114.3 -29.41 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.61 ' CD ' ' CE1' ' A' ' 54' ' ' PHE . 14.7 pt-20 -77.65 -48.85 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.857 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -90.1 64.35 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 40' ' ' GLN . 25.1 mttt -47.13 175.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.89 51.78 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -155.86 105.09 2.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.5 ptt-85 -98.18 142.01 30.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -92.15 -40.87 10.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.41 -159.31 10.79 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 165.25 31.57 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.31 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.502 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 0.7 OUTLIER -51.13 -47.23 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.29 -20.31 58.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -73.91 -38.74 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLN . 44.3 m0 -34.25 150.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 27.2 mt -75.32 143.77 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 34.9 ttm180 -80.31 151.51 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CE1' ' CD ' ' A' ' 39' ' ' GLU . 19.4 m-85 -138.27 112.35 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.4 m -119.02 130.25 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' CG2' HD11 ' A' ' 69' ' ' ILE . 48.2 mm -103.98 149.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 91' ' ' ARG . 1.7 mp0 -139.58 171.85 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 12.1 pt-20 -149.15 139.51 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 41.8 tt0 -87.38 152.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.77 131.13 21.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -20.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -102.12 -41.0 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.6 mmt -89.41 -8.1 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 41.6 37.38 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -135.86 158.61 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 74.4 m-85 -97.97 150.15 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 124.79 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.49 105.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 56' ' ' ILE . 47.5 pt -83.65 -33.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.4 ' N ' HG13 ' A' ' 69' ' ' ILE . 83.7 t80 -142.61 150.07 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -150.3 121.48 7.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.11 -160.72 33.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -104.35 -16.13 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.82 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.048 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.487 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 41.1 p -111.01 -28.95 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 78' ' ' VAL . 35.9 ttt-85 -99.97 156.71 17.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -164.37 113.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.549 HG21 ' NH2' ' A' ' 76' ' ' ARG . 53.7 t -100.79 96.69 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' HD21 ' A' ' 82' ' ' LEU . 78.0 t -56.69 107.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -86.91 169.37 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.17 61.01 7.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.3 mt -120.54 161.01 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -104.46 158.73 31.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.94 52.45 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.518 ' NE ' ' CG ' ' A' ' 113' ' ' ARG . 10.0 mmt180 45.08 44.66 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 m -119.9 132.22 55.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.3 tm? -80.49 138.2 36.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 87' ' ' LEU . 59.4 m-85 -139.36 112.77 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HG3' HD11 ' A' ' 87' ' ' LEU . 5.6 mtmp? -88.33 137.77 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.725 ' O ' HG22 ' A' ' 107' ' ' VAL . 34.7 m-85 -136.89 138.88 41.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' CG ' ' OE1' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -117.0 128.24 54.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 tp -91.0 128.19 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -116.24 146.22 42.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.78 146.05 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -133.43 118.82 18.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -60.07 161.21 13.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 52' ' ' LEU . 53.4 Cg_endo -69.8 -0.01 6.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -103.2 -36.37 8.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.6 -31.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -55.44 152.65 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -156.07 140.89 17.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.429 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 5.9 mm-40 -125.88 -175.7 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.29 146.71 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -93.09 160.04 34.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.34 9.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 89' ' ' LYS . 89.3 t -39.04 137.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 90' ' ' PHE . 30.0 m -125.58 103.54 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.83 ' CB ' HD21 ' A' ' 87' ' ' LEU . 10.4 p -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 24' ' ' VAL . 20.3 m -124.43 128.49 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.13 126.89 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.2 p -66.35 -174.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -100.94 -178.24 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.518 ' CG ' ' NE ' ' A' ' 85' ' ' ARG . 17.5 mtm105 -77.18 162.45 27.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.584 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 22.0 mt-10 -69.78 155.46 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.5 m -131.0 174.19 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.75 141.68 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -30.47 22.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.4 m -93.79 153.48 18.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 t -70.68 86.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m -67.97 139.4 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -70.57 -61.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.19 -173.75 36.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -128.68 124.75 36.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -158.2 139.58 13.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 64.1 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 mtp -87.74 168.84 12.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -145.92 140.58 15.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 179.07 3.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.39 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' LYS . 6.2 p-80 -46.5 170.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' HIS . 33.1 tptt -35.82 -68.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -80.0 158.49 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.64 123.55 39.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.49 27.44 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.54 169.21 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -77.44 129.99 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -44.75 140.37 3.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.07 13.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.65 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -105.3 157.56 34.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.5 Cg_endo -69.81 138.75 38.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 140.77 43.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 15.2 t -84.27 154.71 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.992 HG21 HG11 ' A' ' 109' ' ' VAL . 93.5 t -111.24 95.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.23 -86.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -82.57 134.57 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.829 HG22 HG23 ' A' ' 112' ' ' THR . 10.1 p -121.71 104.58 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.61 164.35 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 112' ' ' THR . 49.5 p-80 -85.97 8.06 21.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -126.35 -12.62 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -166.38 172.69 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.606 HD13 HG23 ' A' ' 109' ' ' VAL . 63.6 mt -133.49 126.71 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HA ' HG22 ' A' ' 78' ' ' VAL . 29.4 tt0 -83.46 137.71 33.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 mt -140.82 139.47 34.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 55.4 p90 -148.25 123.79 10.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.5 p90 -121.4 38.64 4.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.538 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 4.1 p30 -81.16 24.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 38' ' ' LEU . 5.6 mp -96.3 -28.27 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.514 ' OE2' HD21 ' A' ' 92' ' ' LEU . 13.4 pt-20 -78.3 -54.38 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.538 ' NE2' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -83.2 29.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -53.07 56.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' LYS . 43.6 tt0 -40.42 129.14 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.5 mtmt -36.37 152.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 51' ' ' TRP . 3.3 mpt_? -63.35 -39.46 94.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 46.49 42.59 11.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.11 175.33 35.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 158.95 55.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.528 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 38.8 tt0 -49.77 -37.77 31.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.53 -30.32 53.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -86.56 28.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 44' ' ' ARG . 34.6 m0 -103.06 148.79 25.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.24 164.23 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -104.44 151.95 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -134.26 115.02 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -116.41 114.05 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.466 HD11 ' CH2' ' A' ' 36' ' ' TRP . 14.7 mm -95.98 132.77 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 8.7 mt-10 -126.8 167.96 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.1 tt0 -146.35 150.07 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -87.04 148.6 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 1.1 m-20 -103.75 129.41 25.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -29.96 23.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HD2' ' CG ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.67 -36.54 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.486 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 35.7 mtt -90.3 -7.53 53.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 42.94 31.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.7 t -134.32 161.53 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.593 ' CD2' ' HD2' ' A' ' 91' ' ' ARG . 42.0 m-85 -94.75 157.55 15.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.1 144.11 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -74.28 102.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.2 pt -80.81 -36.85 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.589 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 75.0 t80 -138.53 144.06 39.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.9 t -151.94 118.27 5.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.33 -148.11 6.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -122.55 24.6 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.38 179.64 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.534 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 30.2 p -119.5 -34.88 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 31.9 ttm180 -89.36 151.35 22.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.6 t60 -162.48 108.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 33' ' ' GLU . 39.8 t -96.84 99.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.783 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 53.5 t -58.61 101.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.82 169.13 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.589 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 58.14 75.79 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' CE2' ' A' ' 88' ' ' TYR . 47.8 mt -133.67 158.54 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -98.92 150.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.78 146.58 60.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 4.7 mmm180 52.73 36.48 21.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.1 m -120.62 143.61 48.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.3 tp -93.03 148.72 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.666 ' CE2' HD22 ' A' ' 82' ' ' LEU . 55.3 m-85 -142.03 131.77 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -104.02 133.03 49.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 65.7 m-85 -133.14 136.91 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.593 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 13.3 ptm180 -115.04 126.89 55.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 20' ' ' HIS . 19.9 tp -91.02 127.52 36.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -117.92 146.25 44.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.64 147.55 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 45.3 m -138.35 113.18 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -53.44 159.55 2.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -0.13 6.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.2 m -104.51 -37.03 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.52 -32.05 0.77 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.92 151.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -156.63 155.4 31.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -144.61 -175.59 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -137.26 147.27 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.1 p -95.42 160.73 29.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.851 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 120.99 7.69 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -41.47 134.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.3 m -122.18 102.95 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.58 ' HB2' HD21 ' A' ' 87' ' ' LEU . 37.1 p -83.54 131.37 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.992 HG11 HG21 ' A' ' 24' ' ' VAL . 28.7 m -137.57 142.36 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -108.34 126.68 53.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.462 HG22 ' CG1' ' A' ' 32' ' ' ILE . 80.9 p -62.37 -178.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.829 HG23 HG22 ' A' ' 27' ' ' VAL . 43.1 p -95.09 165.6 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.38 150.4 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.451 ' CG ' ' HG3' ' A' ' 84' ' ' PRO . 36.1 mt-10 -60.38 -179.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.0 t -129.02 -46.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.83 -112.54 0.79 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.8 m -77.99 121.16 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.2 p -150.75 125.86 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.495 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 m -132.14 119.21 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.828 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -149.66 152.7 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.7 171.99 14.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -129.71 120.38 25.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -162.77 160.86 25.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 177.56 14.93 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 mmt -101.61 164.87 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -117.62 144.41 34.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' VAL . 1.7 p-80 -73.13 143.54 47.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER 39.23 29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' HIS . 54.9 t -145.04 141.06 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.6 t -121.73 108.6 34.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 14' ' ' VAL . 53.7 Cg_endo -69.77 166.49 27.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' SER . 4.3 pp -87.91 153.28 21.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' HD12 ' A' ' 16' ' ' LEU . 75.0 m -62.29 152.88 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -63.42 135.82 96.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.71 138.69 38.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.318 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.68 158.06 88.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.6 Cg_endo -69.72 141.48 45.49 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.73 2.286 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.83 142.99 49.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.211 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 t -89.1 152.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.883 HG21 HG11 ' A' ' 109' ' ' VAL . 21.8 t -105.96 110.09 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.38 -87.76 0.86 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -76.67 126.21 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 112' ' ' THR . 59.8 t -113.83 107.77 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -117.07 150.53 38.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' THR . 50.8 p-80 -74.77 6.83 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -134.46 5.67 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -175.06 171.17 3.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.6 HD13 HG23 ' A' ' 109' ' ' VAL . 82.6 mt -144.9 117.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 38.3 tt0 -86.06 143.81 27.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 24' ' ' VAL . 10.2 mt -139.38 151.12 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.519 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 52.8 p90 -152.44 115.56 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 41.4 p90 -112.39 38.95 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' HD22 ' A' ' 38' ' ' LEU . 7.6 p-10 -81.91 27.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.702 ' N ' HD22 ' A' ' 38' ' ' LEU . 1.3 mm? -106.0 -7.3 18.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 mp0 -97.16 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CD ' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -78.84 42.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -86.58 70.21 10.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -136.64 136.78 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -42.06 134.39 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -82.67 40.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.76 -52.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.95 175.44 10.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 164.75 33.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -64.07 -13.66 48.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -85.01 28.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -128.14 -30.76 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -39.29 154.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.3 mt -93.1 149.43 21.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -86.9 145.0 26.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -132.66 112.94 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m -115.17 117.99 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 ' CG2' HD11 ' A' ' 69' ' ' ILE . 46.0 mm -97.59 141.18 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 15.5 mt-10 -133.34 153.57 51.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 69' ' ' ILE . 16.1 pt-20 -126.93 133.33 50.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 54.7 tt0 -82.28 159.77 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 2.8 t0 -113.74 124.96 30.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.78 37.4 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.734 2.289 . . . . 0.0 112.306 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -112.96 -42.22 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 7.2 mtt -85.7 -7.32 58.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 42.61 38.55 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -134.21 157.81 45.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -98.35 174.21 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' C ' ' HG2' ' A' ' 57' ' ' GLU . . . -167.17 125.26 1.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 85.0 t -62.61 90.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 58' ' ' GLU . 40.2 pt -68.35 -34.56 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 79.9 t80 -143.01 144.13 32.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -151.23 119.13 6.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.34 -150.15 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -118.82 24.86 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.78 165.79 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 77.4 p -112.85 -21.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -102.97 141.17 36.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 57.0 t60 -158.77 126.17 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 32' ' ' ILE . 2.1 p -118.55 102.38 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 95.5 t -52.24 108.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -84.49 161.72 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.37 72.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.674 HD21 ' CG1' ' A' ' 79' ' ' VAL . 62.0 mt -125.98 155.37 41.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -92.48 152.44 42.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.754 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.6 Cg_endo -69.85 157.16 61.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 40.48 31.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 88' ' ' TYR . 56.6 m -113.96 139.72 48.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.0 tp -90.31 147.34 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 75.6 m-85 -142.61 126.59 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -99.24 133.09 44.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 46.6 m-85 -135.71 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 93' ' ' LYS . 12.5 ptt85 -113.9 140.02 48.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.2 tp -104.97 121.52 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.441 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 46.7 tttt -111.35 148.01 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -138.22 142.1 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.2 m -133.51 116.63 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -58.54 159.17 12.93 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.22 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.354 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.4 m -105.39 -36.2 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.34 -33.95 0.84 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -54.62 151.22 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -157.54 148.72 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 16' ' ' LEU . 3.5 mm-40 -137.34 -176.53 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -136.71 148.47 47.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 p -94.75 159.39 33.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 119.86 6.75 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.2 t -37.93 136.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 107' ' ' VAL . 18.6 m -125.29 102.26 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.604 ' HB2' HD21 ' A' ' 87' ' ' LEU . 88.8 p -86.22 127.86 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 24' ' ' VAL . 18.2 m -133.97 138.76 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.03 126.67 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 32' ' ' ILE . 20.7 p -63.88 178.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HG12 ' A' ' 27' ' ' VAL . 72.4 p -92.03 165.35 13.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -72.25 140.14 48.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 72.6 mt-10 -46.83 114.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 t -95.98 101.75 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 48.75 65.93 2.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -9.85 27.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -128.05 129.86 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.4 t -123.9 133.9 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -106.19 96.9 6.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -165.84 126.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.4 118.4 4.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 6.0 t -138.51 117.35 12.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.84 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.5 m -37.15 -54.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.55 -81.31 0.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.404 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.89 153.02 43.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -143.29 133.3 12.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 53.4 Cg_endo -69.78 175.67 7.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.676 2.25 . . . . 0.0 112.334 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.7 m-70 -112.49 95.52 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp 52.28 27.0 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 11' ' ' HIS . 92.6 t -140.0 143.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.1 119.68 53.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.47 27.49 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -77.04 161.44 28.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -74.18 164.42 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -77.12 138.27 64.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HB3' HG11 ' A' ' 94' ' ' VAL . 54.1 Cg_endo -69.71 153.56 69.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -89.63 157.81 46.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.557 0.694 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.5 Cg_endo -69.8 138.17 37.06 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 38.3 t -94.55 156.3 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.97 HG21 HG11 ' A' ' 109' ' ' VAL . 41.0 t -107.41 107.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.18 -78.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.46 126.18 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.705 HG12 HG23 ' A' ' 112' ' ' THR . 48.0 t -112.69 102.0 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -112.74 151.81 29.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 38.5 p-80 -78.0 9.53 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -134.47 0.15 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 t -171.92 163.2 6.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.667 HD13 HG23 ' A' ' 109' ' ' VAL . 82.5 mt -134.51 113.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 25.5 tt0 -82.51 143.48 31.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 77' ' ' HIS . 11.2 mt -140.75 154.04 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 23' ' ' VAL . 49.8 p90 -152.89 120.21 5.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.469 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 44.5 p90 -121.27 35.77 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.793 ' OD1' HG21 ' A' ' 75' ' ' THR . 6.0 t70 -79.2 13.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.8 -33.2 17.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.57 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -69.73 -55.02 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.532 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -83.0 35.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.59 77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 17.6 mt-10 -150.66 156.16 40.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -68.29 136.58 53.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -97.85 42.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -74.32 -50.8 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.28 178.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 60.0 tt0 -51.3 -36.32 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -50.6 -27.12 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 5.6 mp0 -96.41 27.63 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.439 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 35.6 m0 -104.51 155.61 18.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 47.8 mt -98.33 150.41 21.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -99.28 152.82 19.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 92' ' ' LEU . 40.5 m-85 -136.94 120.42 17.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -120.5 117.22 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -98.73 139.28 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 24.2 mt-10 -132.71 146.21 51.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 69' ' ' ILE . 1.7 pp20? -122.36 138.57 54.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 39.9 tt0 -87.6 151.01 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 7.7 m-20 -117.1 134.39 23.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.18 28.95 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -91.84 -31.97 15.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' HIS . 1.9 mtt -103.42 -1.09 29.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 34.7 37.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -140.39 160.83 39.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -96.37 157.99 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.35 128.78 3.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 94.7 t -60.07 86.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 70' ' ' TYR . 47.4 pt -67.9 -34.11 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.1 t80 -142.71 143.55 32.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 124.34 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.32 -148.18 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -120.87 23.82 10.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.29 173.34 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.793 HG21 ' OD1' ' A' ' 37' ' ' ASP . 67.8 p -120.28 -30.6 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -94.44 136.36 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 47.7 t60 -153.7 134.11 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 33' ' ' GLU . 2.2 p -128.45 103.52 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.742 HG21 ' CE1' ' A' ' 90' ' ' PHE . 97.0 t -56.81 110.68 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -87.74 167.32 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.516 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 60.54 74.27 0.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 55.6 mt -131.34 165.29 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -104.59 156.46 35.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.426 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 54.2 Cg_endo -69.71 139.66 40.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.4 48.63 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -127.39 129.65 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.865 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.1 tm? -78.1 140.3 39.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.826 ' N ' HD13 ' A' ' 87' ' ' LEU . 61.3 m-85 -139.73 113.04 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HG3' HD11 ' A' ' 87' ' ' LEU . 46.8 mttt -87.6 139.83 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 79' ' ' VAL . 61.1 m-85 -140.3 136.19 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 66' ' ' TYR . 10.8 ptm180 -113.16 129.79 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.7 tp -91.58 118.09 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -105.84 149.43 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.566 HG11 ' HB3' ' A' ' 19' ' ' PRO . 2.2 m -144.54 144.93 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.3 m -135.63 115.72 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.6 m -57.39 157.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.721 0.772 . . . . 0.0 110.806 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 t -104.92 -31.04 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.6 -33.92 1.52 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -59.4 155.88 13.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.2 p90 -157.23 153.08 26.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 15.3 mm-40 -137.82 -175.78 4.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 39.9 m-85 -141.07 145.24 35.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -93.02 162.69 27.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.837 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.7 119.69 6.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -38.5 136.65 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.4 m -122.61 102.61 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.865 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.4 p -86.28 124.4 32.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.97 HG11 HG21 ' A' ' 24' ' ' VAL . 9.0 m -131.18 130.07 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.92 121.63 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.445 HG22 ' CG1' ' A' ' 32' ' ' ILE . 37.2 p -56.44 179.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.705 HG23 HG12 ' A' ' 27' ' ' VAL . 25.2 p -94.78 168.25 10.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -76.75 143.26 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 24.0 mp0 -40.8 141.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.6 p -53.39 -43.98 68.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -146.8 147.09 17.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 123.7 10.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.7 m -98.57 175.25 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 t -78.84 162.73 25.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -145.71 124.84 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -155.71 147.75 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.98 151.5 5.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -123.7 160.6 26.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -118.76 117.83 29.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.68 68.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 tpp -110.55 90.4 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -124.94 147.41 56.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 165.24 31.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 13' ' ' VAL . 3.5 p-80 -57.39 -175.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 13' ' ' VAL . 5.4 ptmt -34.19 -39.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.594 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 4.1 p -129.83 147.27 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 14' ' ' VAL . 13.2 p -80.73 122.6 82.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 166.74 26.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -66.4 169.41 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -86.34 161.79 18.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -65.09 136.6 96.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 102' ' ' GLU . 54.3 Cg_endo -69.7 149.08 66.77 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.378 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -79.03 157.17 76.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.0 Cg_endo -69.78 140.62 43.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.6 Cg_endo -69.79 140.52 42.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.658 HG11 ' OH ' ' A' ' 35' ' ' TYR . 16.5 t -81.91 151.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 71.6 t -115.41 97.3 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.63 -79.67 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.86 136.97 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 24' ' ' VAL . 49.8 t -127.15 101.4 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 p -102.31 153.86 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 114' ' ' GLU . 16.9 p-80 -74.37 4.13 6.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -123.33 -17.03 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.3 m -157.69 176.49 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.725 HD13 HG23 ' A' ' 109' ' ' VAL . 87.6 mt -138.5 125.73 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.631 ' HA ' HG22 ' A' ' 78' ' ' VAL . 34.9 tt0 -80.3 142.61 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 22' ' ' PRO . 30.6 mt -144.86 138.41 26.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.658 ' OH ' HG11 ' A' ' 23' ' ' VAL . 27.4 p90 -152.4 121.9 6.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 46.0 p90 -122.64 30.21 6.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 36.1 t0 -76.81 43.14 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.66 ' N ' HE22 ' A' ' 40' ' ' GLN . 10.3 mt -117.19 -33.39 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -77.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.66 HE22 ' N ' ' A' ' 38' ' ' LEU . 2.6 pm0 -38.18 -47.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' C ' ' O ' ' A' ' 40' ' ' GLN . 27.9 mttt 18.94 54.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 40' ' ' GLN . 53.8 tt0 -134.71 148.62 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.74 132.68 48.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -73.5 -7.5 52.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' ARG . 33.7 mm-40 -36.76 101.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.73 -171.73 23.4 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 165.58 30.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.62 -37.62 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.83 -16.76 4.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -94.53 21.82 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -101.43 166.0 10.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.61 148.72 24.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttp85 -95.12 140.11 30.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.79 113.04 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.97 133.73 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.545 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 17.0 mm -105.23 140.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 1.5 mp0 -128.24 171.69 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -145.32 152.16 39.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 18.9 tt0 -97.43 146.58 25.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 8.4 m-20 -102.55 125.15 36.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -29.95 23.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.263 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.86 -36.77 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.465 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 52.2 mtp -87.23 -24.09 24.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASP . 20.3 m-70 60.81 26.0 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 176.75 7.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 36.9 m-85 -117.87 167.54 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -168.94 120.83 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.67 105.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.3 pt -81.45 -31.34 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.576 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 86.2 t80 -138.29 141.11 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 t -147.36 118.24 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.63 -152.16 8.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -123.26 24.59 8.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.06 179.37 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.478 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 18.3 p -119.81 -19.14 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.8 ttm180 -103.57 162.77 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 83.6 t60 -170.45 149.12 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 33' ' ' GLU . 74.5 t -140.29 114.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.584 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 93.7 t -75.11 111.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -92.45 164.96 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.8 66.4 2.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 56.5 mt -124.68 163.69 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -103.31 155.29 36.94 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.7 134.72 28.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 57.06 51.12 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.5 m -130.89 134.5 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.807 HD21 ' CB ' ' A' ' 108' ' ' SER . 2.2 tm? -81.08 138.59 35.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.663 ' H ' HD22 ' A' ' 87' ' ' LEU . 52.4 m-85 -136.8 112.39 9.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' HD11 ' A' ' 87' ' ' LEU . 29.0 mttt -87.09 137.62 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 107' ' ' VAL . 64.9 m-85 -139.39 138.82 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 4.9 ptm85 -117.2 129.11 55.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 93' ' ' LYS . 10.3 tp -91.34 131.96 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.552 ' N ' HD12 ' A' ' 92' ' ' LEU . 30.7 tttt -117.04 147.59 42.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -139.88 143.32 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 101' ' ' TYR . 38.4 m -132.33 107.84 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 100' ' ' GLU . 3.6 p -46.91 154.81 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 110.813 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.35 2.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -108.51 -31.48 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 149.27 -32.31 1.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' SER . 26.8 mm-40 -58.26 152.04 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 95' ' ' THR . 51.5 p90 -158.01 144.15 17.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 3.9 mm-40 -132.46 -174.7 3.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -135.12 145.09 47.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.442 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.3 p -93.94 159.86 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.678 0.752 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.88 7.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 87.1 t -39.52 138.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 90' ' ' PHE . 6.5 m -122.49 102.96 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.807 ' CB ' HD21 ' A' ' 87' ' ' LEU . 3.0 p -85.41 119.76 26.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 27.9 m -128.66 132.2 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.27 124.48 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 p -61.77 -174.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 47.6 p -104.74 -179.34 3.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -73.57 155.08 39.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 29' ' ' HIS . 12.7 pt-20 -91.05 145.86 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.2 t -104.24 51.81 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.69 161.34 14.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.16 59.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.6 t -79.18 -47.57 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m -116.49 -45.91 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -164.35 143.74 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -159.79 170.06 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.88 107.82 0.51 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -135.7 158.13 45.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -165.26 160.06 18.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.57 168.71 31.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mtt -96.45 -43.99 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -159.09 150.14 16.26 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.611 0.72 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 177.72 5.27 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' LYS . 58.7 t60 -50.7 173.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -35.21 -45.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -111.32 146.11 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.6 p -77.25 124.03 87.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.57 27.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.63 157.08 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -58.08 137.62 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -59.34 136.93 88.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.701 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.71 150.39 68.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.382 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.51 161.96 43.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.16 41.97 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.569 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.4 Cg_endo -69.75 140.94 43.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.612 HG11 ' OH ' ' A' ' 35' ' ' TYR . 52.2 t -87.17 159.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 HG11 ' A' ' 109' ' ' VAL . 89.9 t -120.42 97.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.1 -78.83 0.52 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -88.62 134.26 33.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 27' ' ' VAL . 6.4 p -122.89 98.1 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -95.45 154.14 17.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 21.5 p-80 -75.17 5.39 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -125.3 -12.25 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.703 ' HA ' HD12 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -165.08 172.01 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.719 HD13 HG23 ' A' ' 109' ' ' VAL . 75.4 mt -130.3 127.86 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' A' ' 78' ' ' VAL . 20.4 tt0 -82.92 135.61 34.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' HB2' ' A' ' 22' ' ' PRO . 21.2 mt -138.44 142.49 39.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.612 ' OH ' HG11 ' A' ' 23' ' ' VAL . 25.3 p90 -152.06 123.14 7.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' LEU . 36.5 p90 -111.31 17.96 19.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 15.2 t70 -38.99 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.724 ' H ' HD22 ' A' ' 38' ' ' LEU . 3.0 mm? -45.81 -47.58 15.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 3.0 mm-40 -48.89 -68.55 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.663 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 1.1 pm0 -76.56 105.01 7.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -114.13 -50.99 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -73.86 129.39 37.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -43.37 151.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.97 141.73 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -104.32 -61.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.76 -165.05 32.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 50' ' ' GLN . 53.6 Cg_endo -69.72 156.55 63.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 40.5 tt0 -35.3 -46.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 12.6 pt-20 -51.71 -44.84 63.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' PRO . 45.5 mm-40 -55.41 -35.93 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.501 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 36.4 m0 -36.68 154.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 96' ' ' SER . 10.1 mt -90.81 152.09 20.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -95.87 149.51 21.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 68.8 m-85 -137.65 118.14 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 p -112.08 139.82 47.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.2 mm -121.99 113.03 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 24.4 mt-10 -106.29 162.78 13.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 69' ' ' ILE . 7.2 pt-20 -129.3 140.24 51.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -85.97 156.67 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CB ' ' HB2' ' A' ' 63' ' ' MET . 13.7 m-20 -118.77 130.12 25.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.63 0.729 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -21.56 32.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -105.65 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.443 ' HB2' ' CB ' ' A' ' 60' ' ' ASP . 20.8 mmt -81.64 -19.49 41.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 50.88 33.94 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -132.01 159.36 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 91' ' ' ARG . 90.3 m-85 -96.02 146.77 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.71 127.12 3.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 34.9 t -62.13 96.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 58' ' ' GLU . 20.8 pt -80.05 -29.24 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 84.8 t80 -142.72 145.39 33.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -151.9 111.15 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.57 -154.92 8.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -122.87 25.09 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.56 -174.78 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.572 HG22 ' CD ' ' A' ' 40' ' ' GLN . 61.7 p -118.85 -37.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 19.6 ttp-105 -93.16 156.84 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 53.5 t60 -165.58 108.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 33' ' ' GLU . 50.9 t -95.23 96.23 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 82' ' ' LEU . 56.0 t -53.97 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.63 163.07 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.465 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 66.65 74.8 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' SER . 89.7 mt -137.48 172.68 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -116.65 152.93 48.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 146.37 60.05 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 55.1 28.85 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.639 HG22 ' CE1' ' A' ' 88' ' ' TYR . 55.4 m -113.68 137.76 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 108' ' ' SER . 5.4 tp -89.93 146.89 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CE1' HG22 ' A' ' 86' ' ' THR . 54.9 m-85 -142.35 132.54 24.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 29.8 mttm -101.51 135.28 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 46.7 m-85 -137.72 141.94 41.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 66' ' ' TYR . 3.1 ptm85 -120.75 140.0 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 tp -102.78 130.88 49.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 15.4 tttt -118.12 156.07 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.4 m -146.55 138.21 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.3 m -131.76 118.74 20.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.484 ' HA ' HD23 ' A' ' 52' ' ' LEU . 2.6 m -64.54 159.25 61.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 3.26 2.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.6 m -106.98 -33.18 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.79 -32.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.68 153.25 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -157.46 156.55 32.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 mm-40 -144.36 173.92 11.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 28.4 m-85 -131.63 140.93 49.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.402 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.3 p -93.0 159.71 35.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.76 120.37 7.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 7.3 p -44.62 136.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.569 HG21 ' HG2' ' A' ' 22' ' ' PRO . 11.2 m -121.58 113.33 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.463 ' HB2' HD21 ' A' ' 87' ' ' LEU . 53.6 p -90.15 131.5 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.966 HG11 HG21 ' A' ' 24' ' ' VAL . 15.3 m -138.06 141.87 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.39 123.01 49.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.555 HG22 ' CG1' ' A' ' 32' ' ' ILE . 18.9 p -62.45 -173.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 29' ' ' HIS . 40.1 p -104.45 157.88 16.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -64.28 143.3 57.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.545 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 13.7 mt-10 -56.93 161.6 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.5 t -107.99 158.02 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 167.62 -114.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.58 37.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.1 p -59.09 102.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.7 t -79.83 -56.13 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -133.24 167.38 20.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -75.31 117.48 17.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.7 -128.39 4.66 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -154.76 161.48 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -121.4 135.67 55.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.92 -167.11 32.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 tpp -164.25 147.92 9.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -118.49 151.92 50.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.59 37.71 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.575 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -57.21 -79.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.5 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.6 OUTLIER -120.4 -38.89 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.93 134.92 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.31 127.53 26.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.46 27.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.763 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -81.56 169.02 17.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.4 p -53.9 129.26 33.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -53.92 136.9 56.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' CD ' ' HB3' ' A' ' 102' ' ' GLU . 53.5 Cg_endo -69.78 138.45 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.304 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.417 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -73.98 159.21 84.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.865 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.4 Cg_endo -69.79 142.34 47.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.75 146.15 59.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.628 2.219 . . . . 0.0 112.363 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.526 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 5.8 t -89.64 154.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.94 HG21 HG11 ' A' ' 109' ' ' VAL . 65.1 t -115.0 96.63 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.5 -78.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -90.72 131.72 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG22 HG23 ' A' ' 112' ' ' THR . 3.0 p -123.04 119.28 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.444 ' HB ' ' NE2' ' A' ' 30' ' ' HIS . 10.6 p -121.59 158.25 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 34.5 p-80 -75.76 1.13 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' NE2' ' HB ' ' A' ' 28' ' ' THR . 3.8 p80 -117.37 -26.51 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.786 ' HA ' HD12 ' A' ' 82' ' ' LEU . 39.5 p -155.08 170.92 20.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.586 HD13 HG23 ' A' ' 109' ' ' VAL . 95.4 mt -132.75 130.66 59.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.13 141.59 30.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' HG22 ' A' ' 24' ' ' VAL . 56.7 mt -144.44 130.77 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 44.8 p90 -140.63 123.73 16.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 75' ' ' THR . 46.1 p90 -123.7 34.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -74.15 9.29 1.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.0 mt -72.72 -35.08 67.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -68.35 -70.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.675 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -63.89 109.78 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -123.65 -44.78 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -50.01 145.75 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 118.99 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' HD3' ' CD2' ' A' ' 51' ' ' TRP . 54.6 mtt85 -65.78 81.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -80.66 -51.3 8.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.88 -175.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 8.9 tt0 -47.15 -41.2 17.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.89 -32.39 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' O ' ' CD ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -83.67 29.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.529 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 36.9 m0 -103.93 160.72 14.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 14.2 mt -86.96 146.99 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -100.34 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 80.5 m-85 -135.58 116.66 14.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -119.25 125.18 48.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.66 144.62 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 91' ' ' ARG . 36.8 mt-10 -137.31 146.99 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -124.62 138.88 54.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 64.0 tt0 -88.61 143.13 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.28 129.72 24.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -98.83 -35.97 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 65' ' ' SER . 13.5 mmt -100.05 3.24 44.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.2 34.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.1 m -133.26 162.61 31.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.594 ' CD2' ' HD3' ' A' ' 91' ' ' ARG . 83.4 m-85 -97.71 167.48 10.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.41 132.01 3.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.9 t -65.93 89.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -32.47 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.8 t80 -142.87 143.65 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.1 t -152.05 115.97 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.73 -151.96 8.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.62 27.12 7.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.859 0.361 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 -176.98 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 61.5 p -118.52 -37.98 3.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 28.2 ttt-85 -84.52 159.36 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 67.1 t60 -167.18 122.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.57 103.55 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.509 ' CG1' HD21 ' A' ' 82' ' ' LEU . 93.9 t -66.21 110.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -89.36 175.06 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 53.69 74.97 0.25 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 31' ' ' SER . 93.7 mt -131.14 167.29 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -107.14 153.37 41.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 135.11 29.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 56.92 43.9 23.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.1 m -122.94 138.82 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -85.09 143.48 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 87' ' ' LEU . 56.2 m-85 -142.11 113.82 7.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HG3' HD11 ' A' ' 87' ' ' LEU . 33.8 mttm -89.29 137.5 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 107' ' ' VAL . 56.5 m-85 -136.8 146.18 45.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.594 ' HD3' ' CD2' ' A' ' 66' ' ' TYR . 7.4 ptt180 -122.52 131.0 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 20' ' ' HIS . 16.4 tp -91.43 121.42 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' CG ' ' CE2' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -108.01 147.99 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.5 m -144.75 146.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.54 HG23 ' HB3' ' A' ' 101' ' ' TYR . 25.4 m -136.83 113.46 10.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' GLU . 4.6 p -49.92 155.59 1.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.682 0.753 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 5.34 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.7 m -112.34 -33.01 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.19 -37.42 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.642 ' HB3' HD13 ' A' ' 16' ' ' LEU . 6.5 mm-40 -54.09 156.35 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.54 ' HB3' HG23 ' A' ' 95' ' ' THR . 29.8 p90 -158.77 163.0 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.6 mm-40 -151.57 -175.06 5.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' CE2' ' CG ' ' A' ' 93' ' ' LYS . 38.3 m-85 -142.45 145.61 33.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.445 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -91.68 162.74 30.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.7 Cg_endo -69.77 121.4 8.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' PRO . 84.0 t -36.45 136.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 m -122.18 103.27 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 87' ' ' LEU . 20.4 p -88.32 127.45 35.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.94 HG11 HG21 ' A' ' 24' ' ' VAL . 16.9 m -136.11 136.36 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.36 123.94 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -61.58 179.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.601 HG23 HG22 ' A' ' 27' ' ' VAL . 31.3 p -94.63 174.28 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 114' ' ' GLU . 14.8 ptt180 -80.81 140.67 35.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.58 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 15.4 mt-10 -36.62 136.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.3 t -104.41 114.43 28.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.09 113.55 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -18.81 36.47 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -70.9 128.49 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -99.63 -48.95 4.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -151.97 171.8 17.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 0.0 110.805 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -97.44 109.53 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 123.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -112.41 81.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -149.48 131.28 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 76.14 0.29 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 mmt -58.31 -53.11 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -146.4 140.64 15.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.416 ' HG3' HG22 ' A' ' 14' ' ' VAL . 53.6 Cg_endo -69.74 -179.46 2.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 12' ' ' LYS . 1.5 p-80 -87.75 -73.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -127.6 -34.77 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.36 139.13 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG22 ' HG3' ' A' ' 10' ' ' PRO . 97.8 t -82.68 130.68 57.46 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.43 27.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 102' ' ' GLU . 4.1 pp -66.34 158.31 29.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -75.3 131.41 40.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -45.59 139.17 4.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 173.61 10.72 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -109.3 159.49 31.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HB2' HG11 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.82 142.24 47.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.62 2.213 . . . . 0.0 112.355 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 156.73 62.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.686 HG11 ' OH ' ' A' ' 35' ' ' TYR . 50.9 t -94.28 149.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.951 HG21 HG11 ' A' ' 109' ' ' VAL . 55.6 t -108.41 97.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.8 -77.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HE2' ' CG2' ' A' ' 28' ' ' THR . 57.5 tttt -90.8 129.37 36.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.0 p -124.98 104.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.442 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 20.2 p -104.45 175.86 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 33.5 p-80 -92.6 9.38 34.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 4.2 p80 -124.49 -27.37 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.6 m -153.65 173.66 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD13 HG23 ' A' ' 109' ' ' VAL . 73.7 mt -130.74 130.7 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -88.25 135.99 33.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 41.9 mt -140.84 133.28 28.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.686 ' OH ' HG11 ' A' ' 23' ' ' VAL . 53.2 p90 -140.67 127.71 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CD2' ' O ' ' A' ' 75' ' ' THR . 44.9 p90 -127.8 36.15 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.48 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 38.8 p30 -77.61 16.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.93 -36.08 25.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 20' ' ' HIS . 5.1 mm-40 -67.27 -65.79 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.84 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -78.03 43.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -77.63 -50.98 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.69 -178.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -54.12 -177.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' HG2' ' CZ2' ' A' ' 51' ' ' TRP . 1.6 mpp_? -100.98 -27.26 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 55.33 37.69 29.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.36 -179.52 21.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 170.76 15.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.305 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 58.6 tt0 -49.61 -38.58 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -57.58 -30.78 65.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -89.47 28.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.473 ' CZ2' ' HG2' ' A' ' 44' ' ' ARG . 34.2 m0 -102.33 166.42 10.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mp -87.38 149.37 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 54' ' ' PHE . 15.4 tpp180 -88.84 150.71 22.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 23.3 m-85 -139.85 112.1 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 m -120.18 130.0 54.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 92' ' ' LEU . 33.1 mm -108.8 134.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 mt-10 -128.28 149.76 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 58' ' ' GLU . 2.2 pp20? -123.69 138.23 54.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 25.6 tt0 -89.24 143.26 26.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.28 129.85 24.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -18.98 36.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -101.63 -33.68 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 65' ' ' SER . 14.2 mtt -96.71 2.37 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER 34.02 35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' MET . 7.0 t -140.09 162.58 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 43.0 m-85 -98.11 170.21 9.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.18 129.66 2.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 87.8 t -64.41 92.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.0 pt -73.3 -32.83 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.536 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 71.3 t80 -142.98 143.89 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -151.84 125.16 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.33 -150.33 12.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' ' HD3' ' A' ' 53' ' ' ARG . 2.5 m-85 -121.1 28.58 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.83 -176.39 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.566 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 37.1 p -125.42 -39.24 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.595 HH21 HG21 ' A' ' 78' ' ' VAL . 36.2 ttt180 -90.06 152.07 21.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 72.0 t60 -162.5 117.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.595 HG21 HH21 ' A' ' 76' ' ' ARG . 40.2 t -106.54 105.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 97.6 t -65.14 106.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.22 171.68 9.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.62 60.36 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 88' ' ' TYR . 82.2 mt -123.95 162.69 22.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.768 0.318 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -106.09 157.06 35.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.459 ' HG3' ' CG ' ' A' ' 114' ' ' GLU . 53.7 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 56.91 39.47 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.3 m -117.34 133.32 56.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.4 tm? -82.82 142.45 31.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.718 ' N ' HD13 ' A' ' 87' ' ' LEU . 57.5 m-85 -142.68 112.76 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 43.5 mttt -89.89 131.28 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 70.1 m-85 -130.09 151.61 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' NE ' ' CD2' ' A' ' 103' ' ' TYR . 2.5 ptm85 -129.89 129.46 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 20' ' ' HIS . 13.1 tp -91.34 126.55 36.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 21.3 tttt -116.03 143.96 44.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.25 145.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 53' ' ' ARG . 61.8 m -132.83 113.54 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 100' ' ' GLU . 85.7 p -53.44 153.79 6.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.745 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 12.05 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 96' ' ' SER . 5.4 t -117.43 -27.68 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.86 -30.09 1.82 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' SER . 13.0 mt-10 -60.2 153.73 21.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -157.58 166.41 32.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HB2' HD11 ' A' ' 16' ' ' LEU . 25.6 mm-40 -157.45 -175.56 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 14.0 m-85 -137.35 146.77 44.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.433 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.0 OUTLIER -93.87 163.98 22.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.6 Cg_endo -69.82 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.232 . . . . 0.0 112.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 84.7 t -40.17 134.44 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.8 m -120.73 102.52 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.83 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -83.93 127.85 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.951 HG11 HG21 ' A' ' 24' ' ' VAL . 29.7 m -137.01 131.73 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.28 125.64 43.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.3 p -60.75 -179.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 49.8 p -96.61 -179.44 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.92 161.79 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.9 mp0 -66.55 95.45 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 9.6 t 36.53 43.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 98.68 -157.5 20.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 133.23 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.6 t -133.34 109.1 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.3 p -63.43 134.34 55.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -164.87 150.59 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -169.34 170.1 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.13 107.06 1.74 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -123.43 42.51 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p -169.99 173.61 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.81 131.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.6 tpp -101.65 124.54 47.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.325 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -134.32 131.87 20.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.16 17.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -131.34 110.66 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt 57.9 40.18 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -170.29 134.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' VAL . 3.6 p -109.48 109.67 60.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 166.48 27.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 94' ' ' VAL . 1.2 pt? -76.63 160.53 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -62.17 170.36 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -87.74 137.39 31.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.609 ' HB3' HG11 ' A' ' 94' ' ' VAL . 53.8 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -99.68 157.8 33.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.842 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 53.3 Cg_endo -69.78 138.64 38.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.9 Cg_endo -69.73 140.87 43.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 12.0 t -85.85 151.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.002 HG21 HG11 ' A' ' 109' ' ' VAL . 60.8 t -110.73 102.63 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.61 -85.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -85.03 130.94 34.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG22 HG23 ' A' ' 112' ' ' THR . 7.1 p -120.44 116.74 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.2 p -118.23 164.44 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -83.1 6.57 18.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -124.56 -18.86 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.606 ' HA ' HD12 ' A' ' 82' ' ' LEU . 15.0 m -158.25 -179.71 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD11 ' CG2' ' A' ' 111' ' ' THR . 72.2 mt -143.7 126.27 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 78' ' ' VAL . 28.3 tt0 -82.26 138.93 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 24' ' ' VAL . 29.0 mt -144.57 133.24 22.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 23' ' ' VAL . 53.8 p90 -140.95 119.73 12.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' NE1' ' HA ' ' A' ' 75' ' ' THR . 43.5 p90 -114.01 38.52 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD2' HG21 ' A' ' 75' ' ' THR . 13.5 t70 -81.44 26.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.7 mm? -98.72 -4.99 32.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HG2' ' ND1' ' A' ' 20' ' ' HIS . 11.2 mt-10 -100.14 -42.05 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' C ' ' NE2' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -95.27 29.62 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -55.71 -55.27 34.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -46.4 173.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -55.81 176.2 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -108.26 89.12 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -42.17 130.7 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.74 -161.85 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -166.24 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 28.9 tt0 -70.51 -22.06 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.92 -21.65 66.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -100.5 29.32 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.403 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 35.5 m0 -102.1 161.96 13.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD23 ' HD3' ' A' ' 97' ' ' PRO . 19.2 mt -92.84 153.0 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -89.8 148.49 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -138.28 112.07 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -113.14 133.65 54.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.641 HG22 HD11 ' A' ' 69' ' ' ILE . 25.1 mm -108.07 121.03 60.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -115.7 173.64 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 1.4 tp10 -153.18 155.49 36.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 33.3 tt0 -80.52 152.8 28.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' HIS . 6.3 m-20 -113.44 116.84 45.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.42 30.92 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -99.06 -26.82 14.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.644 ' C ' ' CD2' ' A' ' 64' ' ' HIS . 33.8 mmt -105.01 -4.94 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CD2' ' C ' ' A' ' 63' ' ' MET . 0.7 OUTLIER 43.37 37.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -148.32 168.26 23.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 59' ' ' GLU . 2.9 m-85 -106.32 160.85 15.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 57' ' ' GLU . . . -145.42 -124.13 1.65 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' C ' ' A' ' 67' ' ' GLY . 96.3 t -157.25 106.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 56' ' ' ILE . 17.6 pt -85.5 -32.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 77.0 t80 -143.18 146.15 33.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.77 105.35 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.58 -164.14 24.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -103.12 -8.24 20.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.61 163.27 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.51 HG21 ' OD2' ' A' ' 37' ' ' ASP . 49.1 p -107.9 -26.27 10.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 51.0 ttp180 -101.74 153.0 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 65.0 t60 -163.7 109.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 33' ' ' GLU . 25.1 t -96.79 101.14 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.671 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 58.3 t -59.68 105.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.3 172.03 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 54.88 75.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 31' ' ' SER . 96.0 mt -134.59 158.68 43.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -99.19 153.53 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.93 52.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.612 2.208 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 49.5 52.7 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.6 m -134.09 127.75 32.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.92 HD13 ' N ' ' A' ' 88' ' ' TYR . 2.7 tm? -69.94 142.27 52.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.92 ' N ' HD13 ' A' ' 87' ' ' LEU . 46.9 m-85 -140.44 112.98 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HG3' HD11 ' A' ' 87' ' ' LEU . 38.0 mttm -89.2 135.83 33.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 60.3 m-85 -137.83 129.05 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' HD3' ' CD ' ' A' ' 57' ' ' GLU . 2.1 ptm180 -112.81 129.89 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 20' ' ' HIS . 20.1 tp -90.65 129.39 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.0 tttt -112.41 153.58 27.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 19' ' ' PRO . 1.9 m -146.3 138.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 101' ' ' TYR . 22.5 m -132.81 113.85 13.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -58.1 158.6 13.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.673 0.749 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.607 ' HD3' HD23 ' A' ' 52' ' ' LEU . 54.0 Cg_endo -69.77 0.97 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 t -102.13 -32.16 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 144.22 -27.18 2.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -60.96 153.0 26.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HB3' HG23 ' A' ' 95' ' ' THR . 54.8 p90 -155.61 143.33 19.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 27.2 mm-40 -130.97 174.98 9.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 27.5 m-85 -128.68 141.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 105' ' ' PRO . 1.1 p -92.27 160.72 34.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.626 0.726 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 54.2 Cg_endo -69.69 114.86 3.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.404 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 10.3 p -41.48 138.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 107' ' ' VAL . 17.2 m -121.46 103.0 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.863 ' HB2' HD21 ' A' ' 87' ' ' LEU . 11.9 p -79.99 122.07 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.002 HG11 HG21 ' A' ' 24' ' ' VAL . 16.8 m -131.31 127.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.1 124.12 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.5 ' CG2' HD11 ' A' ' 32' ' ' ILE . 71.7 p -58.7 178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.685 HG23 HG22 ' A' ' 27' ' ' VAL . 58.2 p -92.6 178.03 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -93.9 136.36 34.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -47.08 165.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.6 m -130.22 118.79 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.44 -166.9 38.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.76 9.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 m -74.34 -61.11 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.0 m -68.2 -59.18 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -72.2 -66.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -165.49 112.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.68 96.71 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -174.83 119.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.363 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -129.67 152.53 49.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.47 96.02 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mmm -131.22 42.14 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.704 0.288 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.12 153.44 39.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HB2' ' O ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.8 179.4 3.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.62 2.213 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -92.38 -68.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -24.39 5.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' PRO . 86.8 t -84.71 136.7 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -132.24 115.41 15.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 166.25 28.18 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -69.45 176.64 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.8 p -62.12 139.31 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 135.08 95.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 54.0 Cg_endo -69.73 148.73 65.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -87.6 158.86 50.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.815 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 20' ' ' HIS . 54.4 Cg_endo -69.75 139.3 39.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HG2' HG21 ' A' ' 107' ' ' VAL . 53.7 Cg_endo -69.78 141.28 44.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 35' ' ' TYR . 5.0 t -85.89 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.922 HG21 HG11 ' A' ' 109' ' ' VAL . 48.7 t -108.51 108.31 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.43 -83.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -82.25 125.99 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG12 HG23 ' A' ' 112' ' ' THR . 41.0 t -112.51 90.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -103.38 146.56 28.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 30' ' ' HIS . 23.4 p-80 -71.59 2.72 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.864 ' CD2' ' CD2' ' A' ' 29' ' ' HIS . 92.8 m-70 -119.14 -26.01 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.27 174.94 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.796 HD11 HG22 ' A' ' 111' ' ' THR . 85.0 mt -143.58 111.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 26.2 tt0 -83.18 147.87 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 24' ' ' VAL . 7.3 mt -144.45 154.13 42.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 23' ' ' VAL . 46.9 p90 -152.38 117.54 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CH2' HG13 ' A' ' 56' ' ' ILE . 40.7 p90 -116.12 40.21 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.685 ' OD1' HG21 ' A' ' 75' ' ' THR . 1.9 t70 -79.66 14.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -88.27 14.03 10.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -121.43 -65.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' NE2' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -79.37 41.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 22.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -100.52 149.58 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -51.62 -179.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -123.48 46.97 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' ARG . 15.9 mt-30 -36.63 -49.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.24 -179.26 48.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.516 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 173.64 10.7 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.465 ' HA ' ' NE1' ' A' ' 51' ' ' TRP . 37.8 tt0 -55.03 -39.91 69.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -51.1 -21.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -92.43 25.93 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.465 ' NE1' ' HA ' ' A' ' 48' ' ' GLN . 34.9 m0 -97.96 161.33 13.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.72 140.99 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -86.43 148.94 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' HD11 ' A' ' 92' ' ' LEU . 31.7 m-85 -137.05 112.02 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -112.88 121.14 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.521 HG13 ' CH2' ' A' ' 36' ' ' TRP . 36.2 mm -102.42 132.78 47.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 28.9 mt-10 -123.38 157.8 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.79 134.71 48.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 45.3 tt0 -95.48 156.99 16.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -114.3 130.65 23.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.86 37.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -105.82 -35.29 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.434 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 5.0 mtt -95.59 -5.71 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 39.94 31.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -125.67 157.29 37.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 38.1 m-85 -102.13 171.03 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -165.09 124.63 1.27 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.546 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.497 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 88.1 t -59.66 102.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.08 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -82.9 -31.74 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 85.2 t80 -141.71 144.44 34.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 t -150.68 112.32 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.25 -150.57 7.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.49 22.34 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.41 179.4 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.685 HG21 ' OD1' ' A' ' 37' ' ' ASP . 43.0 p -122.57 -38.86 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -86.38 143.06 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 55.8 t60 -159.58 125.5 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG23 ' C ' ' A' ' 32' ' ' ILE . 3.4 p -121.24 101.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.903 HG21 ' CZ ' ' A' ' 90' ' ' PHE . 61.3 t -49.03 103.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -79.29 151.81 30.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.49 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 67.43 83.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CG1' ' A' ' 79' ' ' VAL . 85.0 mt -136.39 158.78 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.44 150.72 37.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HG3' ' CD ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.73 142.74 48.87 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 56.43 44.51 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.5 m -128.49 135.53 49.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 108' ' ' SER . 2.1 tm? -80.22 143.06 34.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.86 ' N ' HD13 ' A' ' 87' ' ' LEU . 65.3 m-85 -141.04 113.81 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HG3' HD11 ' A' ' 87' ' ' LEU . 67.0 mttt -87.44 136.67 32.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.903 ' CZ ' HG21 ' A' ' 79' ' ' VAL . 25.4 m-85 -137.03 134.21 36.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' A' ' 57' ' ' GLU . 8.1 ptt85 -118.28 143.12 46.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 54' ' ' PHE . 19.5 tp -108.29 121.02 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.44 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 48.8 tttt -113.02 145.08 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 1.8 m -134.22 143.05 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 101' ' ' TYR . 32.1 m -133.88 112.65 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB3' HD12 ' A' ' 16' ' ' LEU . 2.6 p -55.69 155.76 10.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.86 2.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -106.43 -30.94 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.98 -33.45 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.781 ' HB3' HD13 ' A' ' 16' ' ' LEU . 7.6 mm-40 -60.45 151.94 26.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' A' ' 95' ' ' THR . 50.0 p90 -158.85 157.54 31.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -140.79 -174.97 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -139.12 140.55 37.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 19' ' ' PRO . 1.1 p -92.45 161.03 33.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.702 0.763 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.78 117.9 5.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 89' ' ' LYS . 8.1 p -44.3 134.34 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.498 HG21 ' HG2' ' A' ' 22' ' ' PRO . 5.3 m -116.0 102.45 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.901 ' HB2' HD21 ' A' ' 87' ' ' LEU . 16.2 p -82.77 125.38 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.922 HG11 HG21 ' A' ' 24' ' ' VAL . 8.9 m -134.82 127.73 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.5 122.24 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.796 HG22 HD11 ' A' ' 32' ' ' ILE . 5.8 p -57.44 171.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.591 HG23 HG12 ' A' ' 27' ' ' VAL . 69.7 p -87.88 -177.29 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -95.68 136.66 35.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 2.1 mp0 -47.75 108.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -75.06 -32.16 61.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -139.24 -178.06 16.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.46 59.91 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.7 m -66.48 167.7 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 64.3 m -102.42 40.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.517 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.2 t 68.86 42.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 2' ' ' SER . 12.3 t -36.97 -61.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.12 -175.45 24.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -142.29 148.31 37.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -157.08 159.09 37.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.36 62.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 tpt -116.58 120.86 40.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.69 0.281 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 9.1 tt0 -129.44 143.36 48.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.8 Cg_endo -69.78 173.85 10.4 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -57.05 -179.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -45.14 -27.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -84.98 141.8 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -99.33 112.14 62.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.42 27.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' C ' HD12 ' A' ' 16' ' ' LEU . 4.5 pp -65.7 161.98 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.498 ' O ' HD12 ' A' ' 16' ' ' LEU . 74.6 m -65.34 141.59 58.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -62.13 137.66 95.76 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.29 37.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -76.28 161.68 74.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 140.46 42.94 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.356 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.48 57.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.634 HG11 ' OH ' ' A' ' 35' ' ' TYR . 61.3 t -89.17 157.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.918 HG21 HG11 ' A' ' 109' ' ' VAL . 97.4 t -116.71 105.57 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.57 -77.0 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.19 131.48 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 112' ' ' THR . 60.7 t -118.32 99.17 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 3.7 p -102.72 149.54 24.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 114' ' ' GLU . 50.6 p-80 -74.68 5.24 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CD2' ' HB ' ' A' ' 28' ' ' THR . 11.2 p80 -124.04 -12.58 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -162.14 178.48 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.705 HD13 HG23 ' A' ' 109' ' ' VAL . 93.1 mt -139.3 123.74 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 78' ' ' VAL . 25.2 tt0 -82.29 137.03 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.1 mt -141.66 137.78 32.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.634 ' OH ' HG11 ' A' ' 23' ' ' VAL . 34.4 p90 -145.05 120.72 10.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' O ' ' N ' ' A' ' 38' ' ' LEU . 37.6 p90 -109.28 13.73 24.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TRP . 2.1 p30 -37.54 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.767 ' H ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -42.03 -51.98 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' HG2' ' NE2' ' A' ' 20' ' ' HIS . 4.7 mm-40 -46.03 -70.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' OE1' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -66.45 -76.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 40' ' ' GLN . 4.6 mmmt 32.51 48.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' LYS . 16.9 tt0 -157.37 149.55 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.6 pttt -34.39 132.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -84.89 51.44 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 160.1 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.82 167.86 7.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 170.32 16.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.504 ' HA ' ' CE2' ' A' ' 51' ' ' TRP . 11.2 tm0? -57.49 -36.48 71.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.13 -19.33 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -95.29 16.73 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 48' ' ' GLN . 47.3 m0 -94.24 -175.42 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 96' ' ' SER . 40.5 mt -116.95 143.15 46.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -93.12 137.45 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 95.8 m-85 -126.9 123.28 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -121.19 118.75 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 69' ' ' ILE . 14.9 mm -99.9 133.76 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 91' ' ' ARG . 4.0 mp0 -124.89 168.83 12.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.5 146.5 38.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 31.9 tt0 -91.04 147.46 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -108.74 125.79 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.49 33.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -100.09 -42.96 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 11.2 mtt -86.05 -12.71 49.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 48.58 31.01 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -131.49 167.62 19.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 59' ' ' GLU . 80.4 m-85 -105.88 153.37 22.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.35 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' HA ' ' HG3' ' A' ' 57' ' ' GLU . 99.1 t -68.29 101.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 56' ' ' ILE . 35.2 pt -81.18 -35.76 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.59 ' HB2' ' CE1' ' A' ' 77' ' ' HIS . 68.9 t80 -141.61 144.5 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -150.48 131.27 14.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.43 -148.91 13.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -124.95 25.17 7.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 -179.98 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.497 ' HA ' ' NE1' ' A' ' 36' ' ' TRP . 65.6 p -117.81 -39.3 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 77' ' ' HIS . 59.7 ttp180 -92.44 159.85 15.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 70' ' ' TYR . 45.3 t60 -164.79 111.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' GLU . 42.4 t -99.89 97.44 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.542 ' CG1' HD21 ' A' ' 82' ' ' LEU . 58.2 t -55.47 104.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.69 163.8 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.425 ' O ' HD23 ' A' ' 82' ' ' LEU . . . 68.36 64.2 3.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 88' ' ' TYR . 37.7 mt -125.2 171.32 10.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -112.96 152.46 44.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 114' ' ' GLU . 53.4 Cg_endo -69.78 135.69 31.04 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 61.18 41.08 13.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.688 HG22 ' CE1' ' A' ' 88' ' ' TYR . 22.8 m -124.73 141.99 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.08 147.08 23.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.688 ' CE1' HG22 ' A' ' 86' ' ' THR . 59.3 m-85 -142.09 136.43 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 106' ' ' VAL . 22.6 mttm -107.8 136.47 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 88' ' ' TYR . 35.7 m-85 -139.97 142.77 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HG3' ' OE1' ' A' ' 57' ' ' GLU . 7.2 ptm180 -119.16 128.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.8 tp -90.55 131.53 36.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.629 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 0.1 OUTLIER -125.4 154.83 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.48 152.96 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 ' HB3' ' A' ' 101' ' ' TYR . 27.7 m -139.1 114.11 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 p -56.77 156.7 11.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.4 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 m -110.1 -32.01 7.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.92 -33.53 1.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.78 150.19 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.478 ' HB2' ' CE ' ' A' ' 93' ' ' LYS . 49.5 p90 -158.62 149.81 20.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' HB2' HD11 ' A' ' 16' ' ' LEU . 5.5 mm-40 -142.42 161.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.629 ' CE1' ' HG3' ' A' ' 93' ' ' LYS . 6.8 m-85 -115.04 145.31 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -95.44 160.05 31.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.57 7.33 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 89' ' ' LYS . 95.2 t -42.84 140.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.5 m -124.45 118.3 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -95.92 129.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.918 HG11 HG21 ' A' ' 24' ' ' VAL . 24.2 m -138.08 140.08 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.13 125.68 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.469 HG22 ' CG1' ' A' ' 32' ' ' ILE . 50.0 p -62.92 -174.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.071 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.684 HG23 HG12 ' A' ' 27' ' ' VAL . 74.6 p -98.86 177.24 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 113' ' ' ARG . 0.6 OUTLIER -85.18 142.84 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 29' ' ' HIS . 39.8 mt-10 -43.38 108.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 t -73.51 116.5 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -126.14 -158.42 9.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.552 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 179.25 3.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.6 p -124.28 133.82 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.7 t -38.98 -60.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.954 . . . . . . . . 0 0 . 1 stop_ save_