data_2kef_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 2kef _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 75.03 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.5 pt -155.27 179.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.119 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.25 155.19 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.37 143.55 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.52 110.872 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.7 m -95.13 87.2 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.43 48.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 63.4 112.485 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.4 p -138.07 164.35 29.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 71.31 110.868 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 34.52 45.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.876 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.77 62.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.857 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.51 78.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.884 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -51.97 -54.23 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 71.14 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.17 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.31 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.95 116.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 44.41 110.874 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.07 172.16 23.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 55.2 112.472 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.0 128.97 55.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 72.5 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.9 m -149.95 169.63 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.0 m -102.95 146.17 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.867 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -17.83 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.15 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.132 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.837 0.351 . . . . 72.43 110.888 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 pt -153.74 171.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.101 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.15 153.21 27.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.22 142.64 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 71.24 110.877 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.09 87.84 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 53.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.7 48.98 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.46 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -138.14 162.95 32.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 63.43 110.908 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.39 42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.916 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 64.3 60.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.845 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -150.54 78.43 1.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -51.85 -54.0 34.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.856 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.4 115.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 63.13 110.925 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.0 174.7 23.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 64.25 112.429 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 ttp -103.57 126.55 50.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 73.23 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.22 160.34 38.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.884 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 m -104.89 148.55 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.926 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -18.03 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.155 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.9 0.381 . . . . 71.21 110.79 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 pt -155.27 179.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 72.33 111.13 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.72 155.33 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 143.41 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.6 m -95.05 87.18 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.806 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.4 48.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.2 p -137.97 164.27 29.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 74.52 110.835 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.8 p 34.53 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.0 62.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.782 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 78.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.854 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -52.09 -53.97 35.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.78 116.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.42 110.887 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.24 172.06 23.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.817 -0.706 . . . . 64.34 112.516 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.9 ttp -109.79 129.55 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 61.43 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.3 m -150.2 169.74 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 14.2 m -103.22 146.98 27.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.854 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -18.27 43.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.12 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.807 0.337 . . . . 73.34 110.846 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pp -160.52 178.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.23 111.127 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.14 152.9 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.844 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.16 142.99 6.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 65.12 112.439 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' CYS . 25.8 p -137.57 164.1 29.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 75.11 110.857 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.6 p 34.45 45.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.6 m80 61.56 62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.802 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -153.45 78.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 t -52.1 -53.43 42.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.783 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -51.1 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.893 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.55 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.25 110.871 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.5 172.63 22.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.654 -0.784 . . . . 72.34 112.425 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ttp -109.67 126.55 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 75.51 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -149.74 170.68 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.7 m -102.92 146.53 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.931 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.75 -17.53 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.779 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 73.12 111.178 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.73 0.3 . . . . 74.01 110.874 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 pt -153.63 171.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.217 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.15 153.22 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 73.52 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.06 143.07 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 61.15 110.871 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.36 87.77 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.74 48.86 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.488 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.7 p -138.08 163.16 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 74.23 110.888 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.22 42.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.968 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.35 60.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 78.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.847 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -51.9 -53.96 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 70.34 110.843 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.86 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.931 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.917 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.99 174.72 23.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.769 -0.729 . . . . 55.54 112.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.51 126.3 50.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 63.32 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.2 160.14 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.88 148.16 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -60.97 -17.39 51.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.44 111.143 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.874 0.369 . . . . 61.35 110.84 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -153.64 171.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 75.24 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.01 153.42 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.836 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.32 142.97 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.52 110.938 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -94.34 87.53 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.94 48.7 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 75.31 112.437 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -137.75 163.2 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 71.41 110.915 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.3 42.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.88 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 64.18 60.79 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 72.54 110.815 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.67 78.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -51.84 -53.83 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.82 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -50.88 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.33 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.33 116.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.825 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 174.74 23.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.672 -0.775 . . . . 63.52 112.48 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.44 126.44 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.21 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.25 160.18 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.828 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.85 148.38 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 74.3 110.871 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -17.44 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.114 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.857 0.361 . . . . 60.44 110.863 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 pt -153.65 171.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.11 111.163 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.22 153.72 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.93 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 143.34 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.9 m -94.78 87.24 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.28 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 62.15 112.467 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.1 p -137.48 163.28 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.379 . . . . 74.12 110.821 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.2 p 36.25 42.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 65.31 110.944 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 64.38 60.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.827 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -150.62 78.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.887 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -51.81 -53.44 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.429 . . . . 73.32 110.908 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -51.0 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.916 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.26 116.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 72.25 110.912 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.75 174.72 23.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 65.24 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -103.28 126.31 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 74.42 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.28 160.07 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.878 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.8 148.35 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.829 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -17.5 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.902 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.082 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 74.22 110.859 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -153.79 171.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.156 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.96 153.59 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.914 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.47 143.22 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.826 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.1 m -94.58 87.28 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 73.52 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.22 48.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.3 p -137.51 163.16 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 65.25 110.912 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.38 42.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 64.35 60.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.8 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -150.75 78.52 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.01 -53.6 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 73.04 110.788 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.859 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.32 116.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 61.03 110.927 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.54 174.76 23.28 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 63.43 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.41 126.35 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.4 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.26 160.18 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.23 110.86 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.1 m -104.81 148.41 26.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -60.93 -17.46 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.934 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.124 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.805 0.336 . . . . 65.21 110.915 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -153.67 171.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.132 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.35 153.27 25.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.954 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.07 142.79 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.4 m -94.09 87.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.43 110.835 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.02 49.07 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 74.23 112.448 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.9 p -138.36 163.11 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.31 42.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 71.02 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 64.21 60.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.846 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.69 78.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.45 110.876 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -51.96 -53.99 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 72.3 110.935 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.96 116.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.948 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.22 174.59 23.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.486 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.51 126.34 50.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.42 110.833 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -136.16 160.06 39.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.5 m -104.86 148.46 26.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.45 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.854 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 73.44 111.135 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.813 0.34 . . . . 70.4 110.913 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 pt -153.49 171.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.33 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.95 153.42 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.923 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 143.97 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 62.1 m -95.62 87.79 4.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 51.41 110.885 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.7 46.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 73.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 26.2 p -136.03 164.27 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 65.1 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.06 45.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.849 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 61.12 62.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.65 78.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.03 110.9 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -51.66 -53.97 33.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.9 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 63.15 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.35 116.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 62.21 110.833 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.39 174.56 22.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 74.21 112.496 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.4 ttm -103.83 126.42 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 64.22 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -136.16 160.2 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.896 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.92 148.18 26.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.11 -17.27 51.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.05 111.195 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 74.2 110.902 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 pt -153.63 171.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.01 111.122 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.44 153.51 25.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.33 143.46 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.8 m -94.78 87.34 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 55.45 110.835 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.11 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 62.43 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.55 163.3 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 60.14 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.5 p 36.29 42.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.95 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 64.29 60.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 71.01 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -150.67 78.54 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.841 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -51.92 -53.59 39.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.903 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 74.52 110.883 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.888 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.74 174.74 23.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.467 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -103.45 126.45 50.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 73.52 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.16 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.03 110.945 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.91 148.41 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.82 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.8 -17.62 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 72.32 110.898 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.2 111.106 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 74.34 110.879 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.5 pt -155.49 179.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.165 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.94 155.52 21.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.11 110.863 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.23 138.73 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.4 m -93.64 85.95 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 60.23 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.91 41.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 72.2 112.521 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.2 p -132.18 164.89 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 71.33 110.916 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.3 p 34.33 45.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.52 110.926 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 60.4 75.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -168.95 80.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -52.26 -52.47 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.813 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -50.31 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.83 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.21 116.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 50.34 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.12 170.97 23.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.825 -0.703 . . . . 55.32 112.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttm -110.05 127.8 55.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 74.23 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 m -149.25 169.7 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.79 146.28 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.856 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -17.82 44.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.04 111.096 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.885 0.374 . . . . 61.23 110.838 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.34 179.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.173 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.07 156.23 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.87 138.55 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.879 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 65.7 m -93.66 85.96 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 65.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.03 41.66 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.661 -0.78 . . . . 74.31 112.448 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.0 p -132.08 164.82 25.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 74.22 110.856 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.4 p 34.32 45.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.875 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 60.39 75.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -169.64 80.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.886 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 t -52.23 -52.56 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.814 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -50.32 -82.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.31 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 63.01 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.74 170.89 22.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 72.13 112.51 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ttt -110.28 127.69 55.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.32 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.13 169.74 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 53.33 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.78 146.38 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 53.44 110.933 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -59.96 -18.13 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.938 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 72.41 111.178 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.867 0.365 . . . . 74.01 110.826 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pp -160.39 178.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 72.34 111.133 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.08 152.19 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.36 142.52 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.885 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 67.1 m -94.39 87.75 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.887 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.06 48.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 72.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.6 p -138.85 164.3 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 73.13 110.84 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.2 p 34.36 46.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.24 110.839 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 61.1 62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.835 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -153.29 80.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -55.11 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 75.1 110.821 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.54 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.901 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.79 115.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.3 110.896 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.28 172.0 22.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 65.33 112.544 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.8 ttp -110.1 126.66 54.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 74.14 110.851 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.9 m -149.42 170.57 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.81 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.6 m -102.96 146.92 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.03 110.931 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -59.96 -18.17 43.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.825 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 70.1 111.162 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.87 0.367 . . . . 74.22 110.837 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 pt -155.14 179.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.3 111.144 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.96 152.31 21.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.876 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.77 140.67 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.8 m -94.54 85.2 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.13 110.868 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.9 46.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 73.24 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.4 p -138.52 168.27 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 73.34 110.911 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' CYS . 28.1 p 33.0 49.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.907 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 57.59 64.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 71.32 110.83 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.51 88.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.893 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.4 t -58.33 -59.78 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.35 110.877 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.846 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 179.51 115.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.904 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.07 170.68 22.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 73.54 112.482 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.11 127.45 54.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 71.14 110.871 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.2 m -148.5 169.1 21.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.837 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.7 m -103.33 147.09 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.86 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -60.53 -17.77 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.891 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.118 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.379 . . . . 72.02 110.85 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 pt -155.04 179.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.088 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.5 155.15 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.04 110.839 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 142.66 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.7 m -94.58 86.11 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.936 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.99 48.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 74.31 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' CYS . 27.3 p -139.2 165.06 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 74.01 110.925 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.0 p 34.15 46.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 61.24 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.853 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.89 69.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.4 110.864 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -49.54 -34.31 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.909 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -79.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.865 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.06 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 73.04 110.888 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.24 171.86 24.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 54.53 112.465 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.9 ttm -109.2 127.92 54.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 73.52 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -149.53 169.44 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.865 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.4 m -102.86 146.57 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -17.72 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.149 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 74.1 110.836 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pp -161.26 179.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.196 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.84 154.85 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.86 138.97 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 71.43 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 50.3 m -93.72 84.7 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 51.31 110.94 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 62.42 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' CYS . 28.2 p -125.99 165.58 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 74.25 110.911 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.8 p 34.63 45.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.925 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 60.54 62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.852 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.75 79.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.855 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -51.82 -48.91 63.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.34 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -50.97 -85.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 74.44 110.954 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.61 116.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.884 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.45 172.55 24.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 74.03 112.494 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 ttm -107.32 124.77 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 74.53 110.794 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.2 m -148.94 171.01 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.5 m -101.5 145.4 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.825 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -60.23 -17.75 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.096 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 74.22 110.86 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -153.59 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.095 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.37 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 53.21 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 142.87 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.3 m -94.44 87.74 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.77 48.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 70.5 112.465 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.67 163.07 32.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 73.4 110.902 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.26 42.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.23 110.888 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.13 60.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.894 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.39 78.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.852 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 t -52.04 -53.58 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 63.2 110.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.88 -82.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.23 116.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 65.24 110.852 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.43 174.74 23.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 75.44 112.448 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.9 ttp -103.53 126.44 50.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 72.21 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.11 160.07 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.915 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 15.3 m -104.53 147.93 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 61.43 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -17.94 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.89 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 72.21 111.132 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 72.53 110.852 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 pt -153.78 172.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.04 111.106 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.41 153.31 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.894 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.54 139.33 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.31 110.904 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.4 m -94.32 85.84 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.911 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.16 45.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 55.12 112.515 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.1 p -135.43 167.16 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 74.05 110.883 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 35.24 44.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 61.03 61.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.848 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 87.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -57.32 -56.98 14.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.845 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.03 116.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.899 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.9 173.46 23.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 72.13 112.529 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ttm -101.94 126.44 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.19 159.97 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 73.05 110.847 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.81 148.46 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -60.9 -17.52 51.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.847 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.165 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.849 0.357 . . . . 74.24 110.882 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -153.82 172.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.35 111.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.59 152.91 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 74.23 110.886 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.2 139.44 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.928 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 m -94.24 85.56 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.863 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.34 46.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 62.01 112.482 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.6 p -135.66 167.01 21.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 71.51 110.907 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.41 44.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.54 110.833 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 61.16 61.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.882 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.4 86.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 64.04 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 t -57.12 -56.58 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -46.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 74.14 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.01 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.879 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.95 173.45 23.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 70.2 112.526 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.9 ttp -101.9 126.44 48.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 75.05 110.867 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.15 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.9 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.6 m -104.8 148.47 26.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.84 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.42 52.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.857 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.23 111.155 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 72.33 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 t -133.55 150.06 51.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.55 111.134 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -78.1 171.99 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.21 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.495 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.7 p90 -147.68 159.37 41.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 72.42 110.877 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.78 173.37 44.94 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 -1.795 . . . . 72.54 112.324 0.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.22 153.38 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -106.43 121.41 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.887 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.5 pt -155.27 179.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.119 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.25 155.19 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.37 143.55 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.52 110.872 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.7 m -95.13 87.2 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.43 48.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 63.4 112.485 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.4 p -138.07 164.35 29.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 71.31 110.868 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 34.52 45.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.876 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.77 62.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.857 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.51 78.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.884 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -51.97 -54.23 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 71.14 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.17 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.31 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.95 116.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 44.41 110.874 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.07 172.16 23.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 55.2 112.472 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.0 128.97 55.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 72.5 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.9 m -149.95 169.63 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.0 m -102.95 146.17 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.867 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -17.83 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 73.15 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.132 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.893 0.377 . . . . 73.42 110.951 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -23.3 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.14 111.182 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.41 84.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.22 110.822 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 51.97 87.44 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 72.02 110.815 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 161.19 86.42 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.75 -1.771 . . . . 75.15 112.4 -0.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.26 132.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 74.12 111.124 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.58 125.88 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.888 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 pt -153.74 171.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.101 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.15 153.21 27.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.22 142.64 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 71.24 110.877 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.09 87.84 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 53.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.7 48.98 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.46 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -138.14 162.95 32.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 63.43 110.908 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.39 42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.916 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 64.3 60.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.845 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -150.54 78.43 1.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -51.85 -54.0 34.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 61.22 110.856 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.4 115.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 63.13 110.925 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.0 174.7 23.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 64.25 112.429 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 ttp -103.57 126.55 50.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 73.23 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.22 160.34 38.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.884 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 m -104.89 148.55 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.926 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -18.03 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.155 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 75.32 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m 64.11 67.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.34 111.152 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -110.45 92.88 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.87 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 8.8 m-85 -121.68 158.43 54.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 73.31 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.1 Cg_endo -69.83 177.66 28.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 -1.813 . . . . 70.13 112.333 0.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.84 135.87 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 73.02 111.145 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.22 120.15 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.21 110.79 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 pt -155.27 179.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 72.33 111.13 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.72 155.33 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 143.41 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.6 m -95.05 87.18 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.806 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.4 48.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.2 p -137.97 164.27 29.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 74.52 110.835 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.8 p 34.53 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.0 62.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.782 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 78.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.854 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -52.09 -53.97 35.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.78 116.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.42 110.887 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.24 172.06 23.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.817 -0.706 . . . . 64.34 112.516 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.9 ttp -109.79 129.55 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 61.43 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.3 m -150.2 169.74 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 14.2 m -103.22 146.98 27.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.854 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -18.27 43.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.12 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.874 0.369 . . . . 72.52 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m -111.94 120.69 42.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.152 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.99 -170.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.884 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.8 p90 -177.49 159.35 1.34 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 75.31 110.934 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.6 Cg_endo -69.76 173.15 45.76 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.607 -1.83 . . . . 73.11 112.342 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.12 153.61 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.43 111.114 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.8 122.94 47.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.846 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pp -160.52 178.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.23 111.127 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.14 152.9 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.844 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.16 142.99 6.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 65.12 112.439 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' CYS . 25.8 p -137.57 164.1 29.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 75.11 110.857 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.6 p 34.45 45.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.6 m80 61.56 62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.802 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -153.45 78.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 t -52.1 -53.43 42.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.783 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -51.1 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.893 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.55 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.25 110.871 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.5 172.63 22.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.654 -0.784 . . . . 72.34 112.425 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.3 ttp -109.67 126.55 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 75.51 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -149.74 170.68 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.7 m -102.92 146.53 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.931 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.75 -17.53 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.779 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 73.12 111.178 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.888 0.375 . . . . 73.43 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.77 127.66 54.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 70.02 111.186 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 167.78 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.4 p90 -139.03 159.28 67.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 74.33 110.901 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.78 173.3 45.22 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 -1.807 . . . . 74.13 112.359 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.41 153.67 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 72.53 111.151 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.27 127.46 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.874 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 pt -153.63 171.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.217 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.15 153.22 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 73.52 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.06 143.07 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 61.15 110.871 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.36 87.77 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.74 48.86 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.488 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.7 p -138.08 163.16 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 74.23 110.888 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.22 42.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.968 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.35 60.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 78.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.847 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -51.9 -53.96 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 70.34 110.843 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.86 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.931 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.917 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.99 174.72 23.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.769 -0.729 . . . . 55.54 112.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.51 126.3 50.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 63.32 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.2 160.14 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.88 148.16 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -60.97 -17.39 51.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.44 111.143 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.966 0.412 . . . . 75.34 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.45 161.47 40.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.125 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -176.42 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.813 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.2 p90 -175.83 159.38 1.94 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 75.22 110.864 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.8 172.66 48.13 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 -1.799 . . . . 75.44 112.322 0.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.71 152.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.32 111.159 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.21 127.26 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 61.35 110.84 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -153.64 171.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 75.24 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.01 153.42 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.836 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.32 142.97 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.52 110.938 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -94.34 87.53 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.94 48.7 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 75.31 112.437 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -137.75 163.2 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 71.41 110.915 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.3 42.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.88 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 64.18 60.79 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 72.54 110.815 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.67 78.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -51.84 -53.83 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.82 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -50.88 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 74.33 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.33 116.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.825 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 174.74 23.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.672 -0.775 . . . . 63.52 112.48 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.44 126.44 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.21 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.25 160.18 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.828 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.85 148.38 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 74.3 110.871 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -17.44 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.114 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.912 0.386 . . . . 53.41 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.67 119.23 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.02 111.189 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -91.49 158.4 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 64.35 110.851 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -137.69 159.29 69.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.647 0.737 . . . . 73.44 110.87 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.79 173.64 43.89 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 -1.814 . . . . 74.02 112.369 0.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.78 154.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 73.14 111.171 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.54 127.77 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 60.44 110.863 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 pt -153.65 171.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.11 111.163 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.22 153.72 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.93 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 143.34 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.9 m -94.78 87.24 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.28 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 62.15 112.467 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.1 p -137.48 163.28 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.379 . . . . 74.12 110.821 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.2 p 36.25 42.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 65.31 110.944 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 64.38 60.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.827 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -150.62 78.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.887 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -51.81 -53.44 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.429 . . . . 73.32 110.908 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -51.0 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.916 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.26 116.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 72.25 110.912 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.75 174.72 23.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 65.24 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -103.28 126.31 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 74.42 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.28 160.07 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.878 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.8 148.35 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.829 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -17.5 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.902 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.082 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 72.34 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -121.54 105.09 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 75.32 111.199 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -104.0 166.58 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 73.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -178.07 159.35 1.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.663 0.744 . . . . 65.51 110.868 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.7 Cg_endo -69.75 172.6 48.21 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 -1.791 . . . . 72.23 112.322 0.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.77 153.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.129 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.26 127.45 54.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.22 110.859 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -153.79 171.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.156 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.96 153.59 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.914 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.47 143.22 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.826 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.1 m -94.58 87.28 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 73.52 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.22 48.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.3 p -137.51 163.16 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 65.25 110.912 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.38 42.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 64.35 60.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.8 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -150.75 78.52 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.01 -53.6 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 73.04 110.788 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.859 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.32 116.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 61.03 110.927 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.54 174.76 23.28 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 63.43 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.41 126.35 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.4 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.26 160.18 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.23 110.86 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.1 m -104.81 148.41 26.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -60.93 -17.46 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.934 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.124 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.905 0.383 . . . . 75.52 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -136.87 156.93 47.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.13 111.168 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -81.55 -170.13 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 55.35 110.865 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.503 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.5 p90 -171.54 159.34 4.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 71.02 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.8 173.31 45.28 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 -1.807 . . . . 74.21 112.317 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.39 153.72 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 73.54 111.201 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.4 127.65 54.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 65.21 110.915 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -153.67 171.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.132 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.35 153.27 25.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.954 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.07 142.79 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.4 m -94.09 87.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.43 110.835 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.02 49.07 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 74.23 112.448 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.9 p -138.36 163.11 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.31 42.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 71.02 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 64.21 60.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.846 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.69 78.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.45 110.876 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -51.96 -53.99 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 72.3 110.935 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.96 116.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.948 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.22 174.59 23.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.486 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.51 126.34 50.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.42 110.833 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -136.16 160.06 39.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.5 m -104.86 148.46 26.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.45 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.854 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 73.44 111.135 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.941 0.4 . . . . 75.43 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.08 126.51 35.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.119 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -86.33 -178.34 6.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.854 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.9 p90 -178.85 159.33 1.02 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.709 0.766 . . . . 74.5 110.896 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 52.7 Cg_endo -69.86 172.21 50.47 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 -1.803 . . . . 62.43 112.287 0.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.26 152.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.15 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.87 127.07 53.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 70.4 110.913 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 pt -153.49 171.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.33 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.95 153.42 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.923 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 143.97 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 62.1 m -95.62 87.79 4.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 51.41 110.885 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.7 46.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 73.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 26.2 p -136.03 164.27 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 65.1 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.06 45.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.849 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 61.12 62.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.65 78.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.03 110.9 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -51.66 -53.97 33.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.9 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 63.15 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.35 116.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 62.21 110.833 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.39 174.56 22.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 74.21 112.496 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.4 ttm -103.83 126.42 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 64.22 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -136.16 160.2 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.896 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.92 148.18 26.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.11 -17.27 51.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.05 111.195 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 54.1 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -51.82 155.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.03 111.176 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -154.67 146.52 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 3.5 p90 -50.83 157.52 1.34 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 73.42 110.893 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.8 Cg_endo -69.83 173.95 42.78 Favored 'Cis proline' 0 C--O 1.233 0.225 0 C-N-CA 122.639 -1.817 . . . . 73.54 112.34 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.94 154.03 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.044 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.46 127.82 54.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 74.2 110.902 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 pt -153.63 171.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.01 111.122 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.44 153.51 25.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.33 143.46 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.8 m -94.78 87.34 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 55.45 110.835 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.11 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 62.43 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.55 163.3 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 60.14 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.5 p 36.29 42.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.95 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 64.29 60.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 71.01 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -150.67 78.54 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.841 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -51.92 -53.59 39.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 71.44 110.903 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 74.52 110.883 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.888 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.74 174.74 23.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.467 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -103.45 126.45 50.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 73.52 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.16 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.03 110.945 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.91 148.41 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.82 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.8 -17.62 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 72.32 110.898 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.2 111.106 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.809 0.337 . . . . 73.24 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.82 132.32 34.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 74.31 111.121 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -106.76 161.61 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.01 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.3 p90 -172.77 159.35 3.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.628 0.728 . . . . 73.33 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.0 Cg_endo -69.83 173.35 45.21 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 -1.82 . . . . 64.15 112.306 0.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.21 153.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 73.34 111.172 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -106.65 121.04 43.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.879 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.5 pt -155.49 179.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.165 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.94 155.52 21.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.11 110.863 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.23 138.73 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.4 m -93.64 85.95 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 60.23 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.91 41.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 72.2 112.521 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.2 p -132.18 164.89 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 71.33 110.916 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.3 p 34.33 45.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.52 110.926 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 60.4 75.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -168.95 80.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -52.26 -52.47 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.813 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -50.31 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.83 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.21 116.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 50.34 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.12 170.97 23.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.825 -0.703 . . . . 55.32 112.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttm -110.05 127.8 55.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 74.23 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 m -149.25 169.7 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.79 146.28 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.856 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -17.82 44.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.04 111.096 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.863 0.363 . . . . 73.53 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -147.38 86.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.12 111.144 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -150.2 142.28 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.923 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.497 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.8 p90 -178.58 159.37 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 75.54 110.815 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.79 172.74 47.66 Favored 'Cis proline' 0 C--N 1.343 0.241 0 C-N-CA 122.62 -1.825 . . . . 71.31 112.4 -0.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.68 153.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.34 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -106.77 121.16 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.838 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.34 179.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.173 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.07 156.23 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.87 138.55 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.879 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 65.7 m -93.66 85.96 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 65.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.03 41.66 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.661 -0.78 . . . . 74.31 112.448 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.0 p -132.08 164.82 25.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 74.22 110.856 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.4 p 34.32 45.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.875 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 60.39 75.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -169.64 80.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.886 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 t -52.23 -52.56 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 72.43 110.814 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -50.32 -82.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.31 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 63.01 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.74 170.89 22.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 72.13 112.51 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ttt -110.28 127.69 55.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.32 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.13 169.74 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 53.33 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.78 146.38 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 53.44 110.933 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -59.96 -18.13 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.45 110.938 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 72.41 111.178 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.875 0.369 . . . . 63.13 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -119.7 -172.7 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 73.55 111.134 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 74.25 110.911 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 63.26 86.17 0.15 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.75 . . . . 75.04 110.89 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.35 89.95 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.691 -1.795 . . . . 73.44 112.364 0.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.47 134.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 71.15 111.087 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.14 122.09 45.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.826 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pp -160.39 178.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 72.34 111.133 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.08 152.19 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.36 142.52 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.885 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 67.1 m -94.39 87.75 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.887 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.06 48.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 72.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.6 p -138.85 164.3 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 73.13 110.84 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.2 p 34.36 46.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.24 110.839 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 61.1 62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.835 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -153.29 80.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -55.11 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 75.1 110.821 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.54 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.901 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.79 115.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.3 110.896 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.28 172.0 22.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 65.33 112.544 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.8 ttp -110.1 126.66 54.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 74.14 110.851 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.9 m -149.42 170.57 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.81 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.6 m -102.96 146.92 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.03 110.931 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -59.96 -18.17 43.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.825 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 70.1 111.162 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.817 0.342 . . . . 62.21 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -155.68 146.43 22.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 74.23 111.162 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 170.85 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.867 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.494 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.7 OUTLIER -170.54 159.32 5.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 73.43 110.951 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.1 Cg_endo -69.73 174.86 38.74 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.697 -1.793 . . . . 73.41 112.332 -0.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -152.9 155.45 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.1 111.112 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.34 122.98 47.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 74.22 110.837 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 pt -155.14 179.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.3 111.144 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.96 152.31 21.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.876 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.77 140.67 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.8 m -94.54 85.2 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.13 110.868 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.9 46.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 73.24 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.4 p -138.52 168.27 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 73.34 110.911 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' CYS . 28.1 p 33.0 49.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.907 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 57.59 64.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 71.32 110.83 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.51 88.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.893 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.4 t -58.33 -59.78 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.35 110.877 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.846 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 179.51 115.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.904 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.07 170.68 22.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 73.54 112.482 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.11 127.45 54.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 71.14 110.871 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.2 m -148.5 169.1 21.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.837 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.7 m -103.33 147.09 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.86 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -60.53 -17.77 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.891 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.118 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.899 0.38 . . . . 75.51 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 p -88.65 77.46 7.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.34 111.149 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.07 178.25 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 72.3 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.494 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.3 p90 -169.84 159.33 6.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 74.54 110.806 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.3 Cg_endo -69.76 174.12 41.84 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 -1.816 . . . . 62.53 112.315 -0.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.88 154.81 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 75.13 111.118 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -106.57 122.14 45.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.85 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 pt -155.04 179.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.088 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.5 155.15 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.04 110.839 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 142.66 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.7 m -94.58 86.11 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.936 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.99 48.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 74.31 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' CYS . 27.3 p -139.2 165.06 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 74.01 110.925 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.0 p 34.15 46.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 61.24 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.853 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.89 69.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.4 110.864 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -49.54 -34.31 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.909 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -79.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.865 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.06 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 73.04 110.888 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.24 171.86 24.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 54.53 112.465 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.9 ttm -109.2 127.92 54.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 73.52 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -149.53 169.44 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.865 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.4 m -102.86 146.57 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -17.72 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.149 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.869 0.366 . . . . 74.24 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.39 123.04 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 72.33 111.217 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -73.69 170.33 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.871 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.2 p90 -143.43 159.37 55.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.759 . . . . 75.31 110.875 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.4 Cg_endo -69.72 172.63 47.96 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 -1.801 . . . . 74.42 112.323 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.5 153.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.1 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -106.97 120.79 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.1 110.836 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pp -161.26 179.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.196 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.84 154.85 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.86 138.97 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 71.43 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 50.3 m -93.72 84.7 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 51.31 110.94 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 62.42 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' CYS . 28.2 p -125.99 165.58 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 74.25 110.911 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.8 p 34.63 45.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.925 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 60.54 62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.852 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.75 79.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.855 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -51.82 -48.91 63.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 61.34 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -50.97 -85.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 74.44 110.954 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.61 116.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.884 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.45 172.55 24.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 74.03 112.494 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 ttm -107.32 124.77 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 74.53 110.794 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.2 m -148.94 171.01 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.5 m -101.5 145.4 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.825 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -60.23 -17.75 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.096 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.825 0.345 . . . . 71.23 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.9 p -103.69 95.3 5.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 73.42 111.097 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.68 -169.85 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.899 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER 179.4 97.95 0.17 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 75.04 110.876 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 53.7 Cg_endo -69.75 172.42 49.01 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 -1.81 . . . . 65.13 112.314 -0.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -113.37 124.81 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 73.32 111.184 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.3 126.0 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.86 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -153.59 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.095 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.37 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 53.21 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 142.87 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.3 m -94.44 87.74 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.77 48.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 70.5 112.465 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.67 163.07 32.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 73.4 110.902 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.26 42.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.23 110.888 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.13 60.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.894 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.39 78.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.852 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 t -52.04 -53.58 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 63.2 110.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.88 -82.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.23 116.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 65.24 110.852 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.43 174.74 23.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 75.44 112.448 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.9 ttp -103.53 126.44 50.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 72.21 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.11 160.07 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.915 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 15.3 m -104.53 147.93 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 61.43 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -17.94 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.89 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 72.21 111.132 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.804 0.335 . . . . 60.33 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -164.93 153.8 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 54.02 111.129 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 53.25 88.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.3 110.795 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.6 p90 -136.48 159.33 71.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.696 0.76 . . . . 74.22 110.856 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.84 172.94 46.95 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 -1.798 . . . . 74.52 112.324 0.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.14 154.2 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 73.33 111.173 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.91 127.11 54.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.852 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 pt -153.78 172.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.04 111.106 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.41 153.31 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.894 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.54 139.33 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.31 110.904 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.4 m -94.32 85.84 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.911 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.16 45.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 55.12 112.515 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.1 p -135.43 167.16 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 74.05 110.883 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 35.24 44.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 71.02 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 61.03 61.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.848 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 87.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -57.32 -56.98 14.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.845 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.03 116.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.899 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.9 173.46 23.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 72.13 112.529 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ttm -101.94 126.44 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.19 159.97 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 73.05 110.847 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.81 148.46 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -60.9 -17.52 51.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.847 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.165 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.926 0.393 . . . . 74.11 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.1 m 62.9 94.14 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 63.11 111.115 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.69 -171.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.813 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.9 p90 -178.36 159.35 1.14 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.671 0.748 . . . . 73.42 110.839 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.75 173.26 45.28 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 -1.78 . . . . 72.32 112.382 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.53 154.1 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.31 111.144 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.81 127.22 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.882 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -153.82 172.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.35 111.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.59 152.91 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 74.23 110.886 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.2 139.44 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.928 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 m -94.24 85.56 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.863 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.34 46.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 62.01 112.482 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.6 p -135.66 167.01 21.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 71.51 110.907 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.41 44.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 61.54 110.833 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 61.16 61.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.882 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.4 86.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 64.04 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 t -57.12 -56.58 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -46.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 74.14 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.01 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.879 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.95 173.45 23.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 70.2 112.526 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.9 ttp -101.9 126.44 48.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 75.05 110.867 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.15 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.9 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.6 m -104.8 148.47 26.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.84 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.42 52.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.857 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.23 111.155 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 72.14 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.5 pt -155.27 179.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.119 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.25 155.19 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.37 143.55 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.52 110.872 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.7 m -95.13 87.2 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.43 48.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 63.4 112.485 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.4 p -138.07 164.35 29.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 71.31 110.868 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 34.52 45.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.4 110.876 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.77 62.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.857 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.51 78.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -51.97 -54.23 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.17 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.95 116.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 44.41 110.874 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.07 172.16 23.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 55.2 112.472 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.0 128.97 55.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 72.5 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.9 m -149.95 169.63 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.0 m -102.95 146.17 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.867 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -17.83 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 70.25 111.132 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.837 0.351 . . . . 43.21 110.888 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 pt -153.74 171.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.101 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.15 153.21 27.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.22 142.64 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 70.44 110.877 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.09 87.84 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 53.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.7 48.98 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.46 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -138.14 162.95 32.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 63.43 110.908 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.39 42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 44.13 110.916 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 64.3 60.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.845 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -150.54 78.43 1.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 74.24 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -51.85 -54.0 34.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.856 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 72.02 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.4 115.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.925 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.0 174.7 23.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 61.31 112.429 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 ttp -103.57 126.55 50.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 73.23 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.22 160.34 38.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.884 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 m -104.89 148.55 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.926 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -18.03 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.155 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.9 0.381 . . . . 71.21 110.79 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 7' ' ' CYS . 10.0 pt -155.27 179.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 70.31 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.72 155.33 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 143.41 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.6 m -95.05 87.18 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.806 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.4 48.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.2 p -137.97 164.27 29.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 74.52 110.835 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.8 p 34.53 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.0 62.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 63.25 110.782 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 78.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.854 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -52.09 -53.97 35.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.78 116.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.33 110.887 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.24 172.06 23.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.817 -0.706 . . . . 64.34 112.516 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.9 ttp -109.79 129.55 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 55.44 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.3 m -150.2 169.74 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 14.2 m -103.22 146.98 27.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.854 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -18.27 43.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.12 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.807 0.337 . . . . 73.34 110.846 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.52 178.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.127 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -84.14 152.9 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.844 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.16 142.99 6.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 65.12 112.439 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' CYS . 25.8 p -137.57 164.1 29.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 75.11 110.857 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.6 p 34.45 45.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.6 m80 61.56 62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.802 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -153.45 78.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 t -52.1 -53.43 42.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.783 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -51.1 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.893 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.55 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 54.24 110.871 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.5 172.63 22.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.654 -0.784 . . . . 72.34 112.425 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 14.3 ttp -109.67 126.55 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 73.43 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -149.74 170.68 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.7 m -102.92 146.53 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.931 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.75 -17.53 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.779 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 71.25 111.178 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.73 0.3 . . . . 73.15 110.874 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 pt -153.63 171.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.217 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.15 153.22 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 70.1 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.06 143.07 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 41.04 110.871 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.36 87.77 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.74 48.86 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 54.43 112.488 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.7 p -138.08 163.16 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 70.31 110.888 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.22 42.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 70.53 110.968 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.35 60.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 71.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 78.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.847 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -51.9 -53.96 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.843 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.86 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.931 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.917 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.99 174.72 23.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.769 -0.729 . . . . 44.13 112.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.51 126.3 50.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 63.32 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.2 160.14 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.88 148.16 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -60.97 -17.39 51.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.143 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.874 0.369 . . . . 45.44 110.84 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -153.64 171.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 75.24 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.01 153.42 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.836 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.32 142.97 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.52 110.938 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -94.34 87.53 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.94 48.7 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 72.1 112.437 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -137.75 163.2 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 71.41 110.915 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.3 42.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.88 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 64.18 60.79 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.815 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.67 78.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -51.84 -53.83 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -50.88 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 70.34 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.33 116.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.825 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 174.74 23.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.672 -0.775 . . . . 63.52 112.48 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.44 126.44 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.21 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.25 160.18 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 74.02 110.828 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.85 148.38 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 71.32 110.871 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -17.44 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.14 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.41 111.114 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.857 0.361 . . . . 60.44 110.863 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 pt -153.65 171.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.11 111.163 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.22 153.72 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.93 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 143.34 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.9 m -94.78 87.24 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.28 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 62.15 112.467 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.1 p -137.48 163.28 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.379 . . . . 74.12 110.821 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.2 p 36.25 42.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 65.31 110.944 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 64.38 60.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.827 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -150.62 78.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 64.01 110.887 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -51.81 -53.44 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.429 . . . . 73.32 110.908 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -51.0 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.916 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.26 116.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 42.53 110.912 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.75 174.72 23.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 42.2 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -103.28 126.31 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 74.42 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.28 160.07 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.878 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.8 148.35 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.829 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -17.5 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.902 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 65.43 111.082 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 74.22 110.859 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -153.79 171.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 62.21 111.156 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.96 153.59 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 74.53 110.914 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.47 143.22 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.826 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.1 m -94.58 87.28 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 25.4 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.22 48.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.3 p -137.51 163.16 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 65.25 110.912 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.38 42.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 63.31 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 64.35 60.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.8 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -150.75 78.52 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.01 -53.6 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 71.24 110.788 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.859 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.32 116.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 53.4 110.927 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.54 174.76 23.28 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 63.43 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.41 126.35 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.4 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.26 160.18 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.23 110.86 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.1 m -104.81 148.41 26.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -60.93 -17.46 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.934 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 72.13 111.124 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.805 0.336 . . . . 65.21 110.915 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -153.67 171.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.132 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.35 153.27 25.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.954 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.07 142.79 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 64.33 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.4 m -94.09 87.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.43 110.835 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.02 49.07 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 74.23 112.448 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.9 p -138.36 163.11 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.31 42.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 61.44 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 64.21 60.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 63.01 110.846 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.69 78.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.876 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -51.96 -53.99 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 72.3 110.935 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.96 116.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.948 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.22 174.59 23.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.486 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.51 126.34 50.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.42 110.833 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -136.16 160.06 39.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.5 m -104.86 148.46 26.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 32.22 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.45 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.854 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 73.44 111.135 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.813 0.34 . . . . 70.4 110.913 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 pt -153.49 171.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.95 153.42 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.923 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 143.97 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 62.1 m -95.62 87.79 4.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 42.12 110.885 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.7 46.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 73.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 26.2 p -136.03 164.27 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 65.1 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.06 45.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.849 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 61.12 62.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.65 78.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.9 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -51.66 -53.97 33.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.9 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 62.23 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.35 116.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 61.33 110.833 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.39 174.56 22.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 74.21 112.496 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.4 ttm -103.83 126.42 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 55.41 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -136.16 160.2 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.896 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.92 148.18 26.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.11 -17.27 51.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.12 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.05 111.195 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 73.22 110.902 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 pt -153.63 171.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.122 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.44 153.51 25.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.33 143.46 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.8 m -94.78 87.34 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 55.45 110.835 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.11 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.1 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.55 163.3 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 60.14 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.5 p 36.29 42.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.95 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 64.29 60.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 71.01 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -150.67 78.54 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 70.1 110.841 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -51.92 -53.59 39.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 60.45 110.903 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 74.52 110.883 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.888 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.74 174.74 23.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.467 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -103.45 126.45 50.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 50.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.16 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.01 110.945 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.91 148.41 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.82 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.8 -17.62 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.898 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.2 111.106 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 35.04 110.879 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.5 pt -155.49 179.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.165 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.94 155.52 21.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.11 110.863 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.23 138.73 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.4 m -93.64 85.95 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 41.31 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.91 41.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 71.42 112.521 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.2 p -132.18 164.89 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 51.25 110.916 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.3 p 34.33 45.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.52 110.926 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 60.4 75.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -168.95 80.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.22 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -52.26 -52.47 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.813 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -50.31 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 63.3 110.83 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.21 116.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 50.1 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.12 170.97 23.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.825 -0.703 . . . . 55.32 112.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttm -110.05 127.8 55.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 74.14 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 m -149.25 169.7 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.79 146.28 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.856 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -17.82 44.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.096 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.885 0.374 . . . . 52.55 110.838 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 7' ' ' CYS . 8.8 pt -155.34 179.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 65.3 111.173 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.07 156.23 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.87 138.55 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.879 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 65.7 m -93.66 85.96 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 65.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.03 41.66 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.661 -0.78 . . . . 74.31 112.448 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.0 p -132.08 164.82 25.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 74.22 110.856 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.4 p 34.32 45.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.875 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 60.39 75.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -169.64 80.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.886 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 t -52.23 -52.56 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.814 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -50.32 -82.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.31 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.05 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.74 170.89 22.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 41.25 112.51 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ttt -110.28 127.69 55.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.32 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.13 169.74 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 53.33 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.78 146.38 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 53.44 110.933 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -59.96 -18.13 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.938 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 54.21 111.178 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.867 0.365 . . . . 73.32 110.826 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.39 178.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 72.34 111.133 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.08 152.19 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.36 142.52 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.885 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 67.1 m -94.39 87.75 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.887 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.06 48.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 71.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.6 p -138.85 164.3 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 44.52 110.84 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.2 p 34.36 46.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.24 110.839 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 61.1 62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.24 110.835 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -153.29 80.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -55.11 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.821 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.54 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.901 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.79 115.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.3 110.896 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.28 172.0 22.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 63.24 112.544 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.8 ttp -110.1 126.66 54.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 74.14 110.851 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.9 m -149.42 170.57 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 60.12 110.81 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.6 m -102.96 146.92 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.03 110.931 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -59.96 -18.17 43.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.825 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.162 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.87 0.367 . . . . 73.31 110.837 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.8 pt -155.14 179.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.3 111.144 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -88.96 152.31 21.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.876 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.77 140.67 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 72.54 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.8 m -94.54 85.2 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.13 110.868 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.9 46.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 73.24 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.4 p -138.52 168.27 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 73.34 110.911 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' CYS . 28.1 p 33.0 49.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.907 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 57.59 64.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.14 110.83 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.51 88.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.893 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.4 t -58.33 -59.78 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 61.13 110.877 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.846 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 179.51 115.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.904 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.07 170.68 22.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 62.12 112.482 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -110.11 127.45 54.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 71.14 110.871 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.2 m -148.5 169.1 21.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.837 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.7 m -103.33 147.09 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.86 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -60.53 -17.77 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 51.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 71.31 111.118 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.379 . . . . 72.02 110.85 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.1 pt -155.04 179.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.088 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.5 155.15 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.43 110.839 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 142.66 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.7 m -94.58 86.11 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.936 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.99 48.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 74.31 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' CYS . 27.3 p -139.2 165.06 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 71.23 110.925 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.0 p 34.15 46.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 54.31 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 63.51 110.853 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.89 69.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.4 110.864 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -49.54 -34.31 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.909 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -79.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.51 . . . . 70.14 110.865 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.06 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.888 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.24 171.86 24.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 54.53 112.465 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.9 ttm -109.2 127.92 54.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 60.45 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -149.53 169.44 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 62.05 110.865 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.4 m -102.86 146.57 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -17.72 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.149 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 74.1 110.836 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -161.26 179.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.196 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.84 154.85 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.86 138.97 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 52.24 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 50.3 m -93.72 84.7 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 51.31 110.94 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 62.42 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' CYS . 28.2 p -125.99 165.58 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 74.25 110.911 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.8 p 34.63 45.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.925 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 60.54 62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.852 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.75 79.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.855 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -51.82 -48.91 63.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -50.97 -85.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 74.44 110.954 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.61 116.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 61.53 110.884 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.45 172.55 24.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 74.03 112.494 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 ttm -107.32 124.77 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 74.53 110.794 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.2 m -148.94 171.01 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.5 m -101.5 145.4 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 54.21 110.825 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -60.23 -17.75 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.096 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 64.22 110.86 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -153.59 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.095 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.37 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 53.21 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 142.87 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.3 m -94.44 87.74 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 30.14 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.77 48.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 70.5 112.465 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.67 163.07 32.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 73.4 110.902 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.26 42.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.23 110.888 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.13 60.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.894 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.39 78.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.852 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 t -52.04 -53.58 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 55.02 110.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.88 -82.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.23 116.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 63.23 110.852 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.43 174.74 23.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 25.25 112.448 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.9 ttp -103.53 126.44 50.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 63.41 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.11 160.07 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.915 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 15.3 m -104.53 147.93 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 61.43 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -17.94 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.89 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 72.21 111.132 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 72.53 110.852 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 pt -153.78 172.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.04 111.106 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.41 153.31 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.894 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.54 139.33 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.31 110.904 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.4 m -94.32 85.84 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.911 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.16 45.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 54.34 112.515 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.1 p -135.43 167.16 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 55.35 110.883 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 35.24 44.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 31.12 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 61.03 61.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 71.1 110.848 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 87.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -57.32 -56.98 14.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.845 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.03 116.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.899 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.9 173.46 23.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 72.13 112.529 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ttm -101.94 126.44 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.19 159.97 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 63.21 110.847 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.81 148.46 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -60.9 -17.52 51.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.847 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 52.15 111.165 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.849 0.357 . . . . 74.24 110.882 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -153.82 172.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 55.44 111.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.59 152.91 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 74.23 110.886 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.2 139.44 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.928 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 m -94.24 85.56 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.52 110.863 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.34 46.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 62.01 112.482 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.6 p -135.66 167.01 21.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 70.11 110.907 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.41 44.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 54.25 110.833 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 61.16 61.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.882 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.4 86.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 t -57.12 -56.58 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 63.11 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -46.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 71.42 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.01 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.879 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.95 173.45 23.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 70.2 112.526 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.9 ttp -101.9 126.44 48.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 75.05 110.867 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.15 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.9 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.6 m -104.8 148.47 26.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.84 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.42 52.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.857 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.2 111.155 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 63.21 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 t -133.55 150.06 51.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.55 111.134 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -78.1 171.99 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.21 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.7 p90 -147.68 159.37 41.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 72.42 110.877 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.78 173.37 44.94 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 -1.795 . . . . 72.54 112.324 0.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.22 153.38 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.43 121.41 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.887 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.5 pt -155.27 179.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.119 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.25 155.19 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.37 143.55 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.52 110.872 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.7 m -95.13 87.2 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.43 48.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 63.4 112.485 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.4 p -138.07 164.35 29.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 71.31 110.868 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 34.52 45.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.4 110.876 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.77 62.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.857 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.51 78.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -51.97 -54.23 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.17 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.95 116.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 44.41 110.874 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.07 172.16 23.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 55.2 112.472 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.0 128.97 55.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 72.5 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.9 m -149.95 169.63 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.0 m -102.95 146.17 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.867 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -17.83 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 70.25 111.132 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.893 0.377 . . . . 73.42 110.951 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -23.3 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 53.24 111.182 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.425 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER 63.41 84.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 55.13 110.822 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 51.97 87.44 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 62.44 110.815 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 161.19 86.42 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.75 -1.771 . . . . 75.15 112.4 -0.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -121.26 132.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 71.33 111.124 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.58 125.88 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 43.21 110.888 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 pt -153.74 171.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.101 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.15 153.21 27.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.22 142.64 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 70.44 110.877 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.09 87.84 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 53.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.7 48.98 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.46 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -138.14 162.95 32.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 63.43 110.908 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.39 42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 44.13 110.916 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 64.3 60.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.845 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -150.54 78.43 1.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 74.24 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -51.85 -54.0 34.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.856 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 72.02 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.4 115.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.925 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.0 174.7 23.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 61.31 112.429 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 ttp -103.57 126.55 50.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 73.23 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.22 160.34 38.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.884 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 m -104.89 148.55 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.926 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -18.03 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.155 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 75.32 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m 64.11 67.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 64.43 111.152 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -110.45 92.88 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.87 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 8.8 m-85 -121.68 158.43 54.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 63.11 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.1 Cg_endo -69.83 177.66 28.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 -1.813 . . . . 70.13 112.333 0.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -121.84 135.87 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 73.02 111.145 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.22 120.15 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.21 110.79 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 7' ' ' CYS . 10.0 pt -155.27 179.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 70.31 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.72 155.33 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 143.41 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.6 m -95.05 87.18 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.806 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.4 48.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.2 p -137.97 164.27 29.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 74.52 110.835 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.8 p 34.53 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.0 62.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 63.25 110.782 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 78.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.854 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -52.09 -53.97 35.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.78 116.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.33 110.887 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.24 172.06 23.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.817 -0.706 . . . . 64.34 112.516 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.9 ttp -109.79 129.55 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 55.44 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.3 m -150.2 169.74 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 14.2 m -103.22 146.98 27.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.854 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -18.27 43.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.12 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.874 0.369 . . . . 63.11 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m -111.94 120.69 42.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.33 111.152 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.99 -170.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.884 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.8 p90 -177.49 159.35 1.34 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 75.31 110.934 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.6 Cg_endo -69.76 173.15 45.76 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.607 -1.83 . . . . 73.11 112.342 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.12 153.61 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.33 111.114 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -107.8 122.94 47.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.846 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.52 178.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.127 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -84.14 152.9 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.844 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.16 142.99 6.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 65.12 112.439 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' CYS . 25.8 p -137.57 164.1 29.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 75.11 110.857 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.6 p 34.45 45.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.6 m80 61.56 62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.802 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -153.45 78.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 t -52.1 -53.43 42.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.783 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -51.1 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.893 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.55 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 54.24 110.871 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.5 172.63 22.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.654 -0.784 . . . . 72.34 112.425 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 14.3 ttp -109.67 126.55 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 73.43 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -149.74 170.68 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.7 m -102.92 146.53 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.931 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.75 -17.53 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.779 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 71.25 111.178 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.888 0.375 . . . . 64.45 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.77 127.66 54.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 61.23 111.186 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 167.78 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.4 p90 -139.03 159.28 67.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 74.33 110.901 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.78 173.3 45.22 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 -1.807 . . . . 73.54 112.359 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.41 153.67 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.33 111.151 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.27 127.46 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.874 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 pt -153.63 171.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.217 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.15 153.22 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 70.1 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.06 143.07 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 41.04 110.871 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.36 87.77 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.74 48.86 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 54.43 112.488 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.7 p -138.08 163.16 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 70.31 110.888 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.22 42.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 70.53 110.968 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.35 60.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 71.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 78.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.847 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -51.9 -53.96 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.843 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.86 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.931 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.917 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.99 174.72 23.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.769 -0.729 . . . . 44.13 112.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.51 126.3 50.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 63.32 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.2 160.14 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.88 148.16 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -60.97 -17.39 51.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.143 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.966 0.412 . . . . 55.55 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.45 161.47 40.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 70.33 111.125 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -176.42 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.813 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.2 p90 -175.83 159.38 1.94 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 75.22 110.864 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.8 172.66 48.13 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 -1.799 . . . . 73.25 112.322 0.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.71 152.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.32 111.159 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.21 127.26 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 45.44 110.84 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -153.64 171.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 75.24 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.01 153.42 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.836 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.32 142.97 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.52 110.938 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -94.34 87.53 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.94 48.7 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 72.1 112.437 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -137.75 163.2 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 71.41 110.915 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.3 42.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.88 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 64.18 60.79 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.815 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.67 78.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -51.84 -53.83 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -50.88 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 70.34 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.33 116.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.825 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 174.74 23.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.672 -0.775 . . . . 63.52 112.48 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.44 126.44 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.21 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.25 160.18 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 74.02 110.828 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.85 148.38 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 71.32 110.871 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -17.44 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.14 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.41 111.114 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.912 0.386 . . . . 53.41 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.67 119.23 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.02 111.189 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -91.49 158.4 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 51.5 110.851 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.514 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -137.69 159.29 69.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.647 0.737 . . . . 71.2 110.87 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.79 173.64 43.89 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 -1.814 . . . . 74.02 112.369 0.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.78 154.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 62.42 111.171 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.54 127.77 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 60.44 110.863 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 pt -153.65 171.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.11 111.163 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.22 153.72 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.93 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 143.34 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.9 m -94.78 87.24 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.28 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 62.15 112.467 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.1 p -137.48 163.28 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.379 . . . . 74.12 110.821 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.2 p 36.25 42.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 65.31 110.944 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 64.38 60.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.827 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -150.62 78.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 64.01 110.887 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -51.81 -53.44 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.429 . . . . 73.32 110.908 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -51.0 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.916 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.26 116.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 42.53 110.912 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.75 174.72 23.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 42.2 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -103.28 126.31 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 74.42 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.28 160.07 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.878 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.8 148.35 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.829 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -17.5 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.902 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 65.43 111.082 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 72.34 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -121.54 105.09 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 75.32 111.199 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -104.0 166.58 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 73.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -178.07 159.35 1.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.663 0.744 . . . . 65.51 110.868 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.7 Cg_endo -69.75 172.6 48.21 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 -1.791 . . . . 71.31 112.322 0.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.77 153.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.129 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.26 127.45 54.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.22 110.859 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -153.79 171.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 62.21 111.156 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.96 153.59 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 74.53 110.914 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.47 143.22 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.826 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.1 m -94.58 87.28 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 25.4 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.22 48.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.3 p -137.51 163.16 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 65.25 110.912 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.38 42.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 63.31 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 64.35 60.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.8 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -150.75 78.52 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.01 -53.6 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 71.24 110.788 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.859 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.32 116.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 53.4 110.927 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.54 174.76 23.28 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 63.43 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.41 126.35 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.4 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.26 160.18 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.23 110.86 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.1 m -104.81 148.41 26.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -60.93 -17.46 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.934 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 72.13 111.124 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.905 0.383 . . . . 75.52 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -136.87 156.93 47.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.13 111.168 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -81.55 -170.13 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 52.01 110.865 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.5 p90 -171.54 159.34 4.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 71.02 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.8 173.31 45.28 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 -1.807 . . . . 74.21 112.317 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.39 153.72 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 73.54 111.201 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.4 127.65 54.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 65.21 110.915 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -153.67 171.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.132 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.35 153.27 25.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.954 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.07 142.79 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 64.33 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.4 m -94.09 87.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.43 110.835 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.02 49.07 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 74.23 112.448 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.9 p -138.36 163.11 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.31 42.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 61.44 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 64.21 60.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 63.01 110.846 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.69 78.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.876 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -51.96 -53.99 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 72.3 110.935 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.96 116.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.948 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.22 174.59 23.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.486 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.51 126.34 50.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.42 110.833 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -136.16 160.06 39.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.5 m -104.86 148.46 26.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 32.22 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.45 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.854 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 73.44 111.135 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.941 0.4 . . . . 71.23 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.08 126.51 35.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 53.51 111.119 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -86.33 -178.34 6.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.854 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.9 p90 -178.85 159.33 1.02 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.709 0.766 . . . . 74.5 110.896 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 52.7 Cg_endo -69.86 172.21 50.47 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 -1.803 . . . . 62.43 112.287 0.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.26 152.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.15 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.87 127.07 53.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 70.4 110.913 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 pt -153.49 171.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.95 153.42 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.923 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 143.97 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 62.1 m -95.62 87.79 4.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 42.12 110.885 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.7 46.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 73.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 26.2 p -136.03 164.27 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 65.1 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.06 45.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.849 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 61.12 62.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.65 78.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.9 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -51.66 -53.97 33.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.9 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 62.23 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.35 116.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 61.33 110.833 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.39 174.56 22.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 74.21 112.496 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.4 ttm -103.83 126.42 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 55.41 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -136.16 160.2 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.896 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.92 148.18 26.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.11 -17.27 51.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.12 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.05 111.195 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 54.1 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -51.82 155.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.03 111.176 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -154.67 146.52 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.523 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 3.5 p90 -50.83 157.52 1.34 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 53.42 110.893 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.8 Cg_endo -69.83 173.95 42.78 Favored 'Cis proline' 0 C--O 1.233 0.225 0 C-N-CA 122.639 -1.817 . . . . 73.54 112.34 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.94 154.03 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 63.03 111.044 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.46 127.82 54.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.902 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 pt -153.63 171.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.122 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.44 153.51 25.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.33 143.46 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.8 m -94.78 87.34 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 55.45 110.835 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.11 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.1 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.55 163.3 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 60.14 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.5 p 36.29 42.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.95 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 64.29 60.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 71.01 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -150.67 78.54 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 70.1 110.841 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -51.92 -53.59 39.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 60.45 110.903 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 74.52 110.883 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.888 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.74 174.74 23.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.467 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -103.45 126.45 50.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 50.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.16 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.01 110.945 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.91 148.41 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.82 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.8 -17.62 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.898 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.2 111.106 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.809 0.337 . . . . 73.24 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.82 132.32 34.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 71.21 111.121 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -106.76 161.61 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.01 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.3 p90 -172.77 159.35 3.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.628 0.728 . . . . 71.13 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.0 Cg_endo -69.83 173.35 45.21 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 -1.82 . . . . 64.15 112.306 0.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.21 153.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 65.21 111.172 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.65 121.04 43.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 35.04 110.879 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.5 pt -155.49 179.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.165 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.94 155.52 21.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.11 110.863 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.23 138.73 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.4 m -93.64 85.95 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 41.31 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.91 41.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 71.42 112.521 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.2 p -132.18 164.89 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 51.25 110.916 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.3 p 34.33 45.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.52 110.926 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 60.4 75.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -168.95 80.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.22 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -52.26 -52.47 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.813 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -50.31 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 63.3 110.83 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.21 116.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 50.1 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.12 170.97 23.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.825 -0.703 . . . . 55.32 112.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttm -110.05 127.8 55.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 74.14 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 m -149.25 169.7 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.79 146.28 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.856 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -17.82 44.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.096 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.863 0.363 . . . . 73.53 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -147.38 86.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.12 111.144 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -150.2 142.28 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.923 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.8 p90 -178.58 159.37 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 74.24 110.815 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.79 172.74 47.66 Favored 'Cis proline' 0 C--N 1.343 0.241 0 C-N-CA 122.62 -1.825 . . . . 71.31 112.4 -0.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.68 153.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.34 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.77 121.16 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 52.55 110.838 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 7' ' ' CYS . 8.8 pt -155.34 179.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 65.3 111.173 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.07 156.23 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.87 138.55 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.879 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 65.7 m -93.66 85.96 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 65.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.03 41.66 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.661 -0.78 . . . . 74.31 112.448 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.0 p -132.08 164.82 25.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 74.22 110.856 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.4 p 34.32 45.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.875 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 60.39 75.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -169.64 80.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.886 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 t -52.23 -52.56 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.814 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -50.32 -82.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.31 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.05 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.74 170.89 22.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 41.25 112.51 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ttt -110.28 127.69 55.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.32 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.13 169.74 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 53.33 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.78 146.38 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 53.44 110.933 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -59.96 -18.13 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.938 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 54.21 111.178 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.875 0.369 . . . . 51.22 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -119.7 -172.7 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 63.1 111.134 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.521 ' HA ' HG23 ' A' ' 6' ' ' ILE . 19.6 m170 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 74.25 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 28.0 m-85 63.26 86.17 0.15 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.75 . . . . 70.44 110.89 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.8 159.35 89.95 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.691 -1.795 . . . . 43.55 112.364 0.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.521 HG23 ' HA ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -122.47 134.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 53.44 111.087 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -107.14 122.09 45.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.826 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.39 178.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 72.34 111.133 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.08 152.19 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.36 142.52 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.885 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 67.1 m -94.39 87.75 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.887 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.06 48.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 71.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.6 p -138.85 164.3 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 44.52 110.84 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.2 p 34.36 46.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.24 110.839 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 61.1 62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.24 110.835 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -153.29 80.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -55.11 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.821 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.54 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.901 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.79 115.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.3 110.896 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.28 172.0 22.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 63.24 112.544 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.8 ttp -110.1 126.66 54.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 74.14 110.851 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.9 m -149.42 170.57 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 60.12 110.81 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.6 m -102.96 146.92 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.03 110.931 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -59.96 -18.17 43.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.825 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.162 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.817 0.342 . . . . 62.21 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -155.68 146.43 22.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 50.1 111.162 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 170.85 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.867 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.7 OUTLIER -170.54 159.32 5.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 73.4 110.951 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.1 Cg_endo -69.73 174.86 38.74 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.697 -1.793 . . . . 73.1 112.332 -0.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -152.9 155.45 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 53.51 111.112 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.34 122.98 47.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.837 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.8 pt -155.14 179.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.3 111.144 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -88.96 152.31 21.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.876 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.77 140.67 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 72.54 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.8 m -94.54 85.2 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.13 110.868 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.9 46.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 73.24 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.4 p -138.52 168.27 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 73.34 110.911 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' CYS . 28.1 p 33.0 49.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.907 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 57.59 64.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.14 110.83 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.51 88.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.893 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.4 t -58.33 -59.78 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 61.13 110.877 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.846 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 179.51 115.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.904 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.07 170.68 22.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 62.12 112.482 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -110.11 127.45 54.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 71.14 110.871 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.2 m -148.5 169.1 21.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.837 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.7 m -103.33 147.09 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.86 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -60.53 -17.77 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 51.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 71.31 111.118 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.899 0.38 . . . . 75.51 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 p -88.65 77.46 7.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.34 111.149 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.07 178.25 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 72.3 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.3 p90 -169.84 159.33 6.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 74.54 110.806 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.3 Cg_endo -69.76 174.12 41.84 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 -1.816 . . . . 62.53 112.315 -0.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.88 154.81 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 64.13 111.118 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -106.57 122.14 45.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.85 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.1 pt -155.04 179.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.088 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.5 155.15 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.43 110.839 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 142.66 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.7 m -94.58 86.11 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.936 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.99 48.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 74.31 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' CYS . 27.3 p -139.2 165.06 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 71.23 110.925 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.0 p 34.15 46.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 54.31 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 63.51 110.853 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.89 69.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.4 110.864 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -49.54 -34.31 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.909 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -79.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.51 . . . . 70.14 110.865 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.06 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.888 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.24 171.86 24.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 54.53 112.465 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.9 ttm -109.2 127.92 54.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 60.45 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -149.53 169.44 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 62.05 110.865 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.4 m -102.86 146.57 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -17.72 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.149 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.869 0.366 . . . . 63.23 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.39 123.04 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 31.31 111.217 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -73.69 170.33 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.871 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.2 p90 -143.43 159.37 55.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.759 . . . . 75.31 110.875 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.4 Cg_endo -69.72 172.63 47.96 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 -1.801 . . . . 72.23 112.323 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.5 153.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 64.43 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.97 120.79 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.1 110.836 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -161.26 179.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.196 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.84 154.85 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.86 138.97 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 52.24 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 50.3 m -93.72 84.7 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 51.31 110.94 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 62.42 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' CYS . 28.2 p -125.99 165.58 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 74.25 110.911 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.8 p 34.63 45.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.925 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 60.54 62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.852 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.75 79.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.855 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -51.82 -48.91 63.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -50.97 -85.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 74.44 110.954 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.61 116.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 61.53 110.884 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.45 172.55 24.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 74.03 112.494 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 ttm -107.32 124.77 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 74.53 110.794 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.2 m -148.94 171.01 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.5 m -101.5 145.4 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 54.21 110.825 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -60.23 -17.75 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.096 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.825 0.345 . . . . 71.23 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.9 p -103.69 95.3 5.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 73.42 111.097 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.68 -169.85 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.899 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER 179.4 97.95 0.17 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 75.04 110.876 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 53.7 Cg_endo -69.75 172.42 49.01 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 -1.81 . . . . 65.13 112.314 -0.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -113.37 124.81 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 54.24 111.184 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.3 126.0 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.86 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -153.59 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.095 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.37 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 53.21 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 142.87 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.3 m -94.44 87.74 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 30.14 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.77 48.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 70.5 112.465 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.67 163.07 32.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 73.4 110.902 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.26 42.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.23 110.888 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.13 60.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.894 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.39 78.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.852 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 t -52.04 -53.58 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 55.02 110.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.88 -82.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.23 116.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 63.23 110.852 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.43 174.74 23.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 25.25 112.448 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.9 ttp -103.53 126.44 50.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 63.41 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.11 160.07 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.915 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 15.3 m -104.53 147.93 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 61.43 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -17.94 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.89 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 72.21 111.132 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.627 ' OD2' HG22 ' A' ' 2' ' ' THR . 3.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.804 0.335 . . . . 60.33 110.864 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.627 HG22 ' OD2' ' A' ' 1' ' ' ASP . 15.0 t -164.93 153.8 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 45.04 111.129 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 53.25 88.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.3 110.795 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.6 p90 -136.48 159.33 71.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.696 0.76 . . . . 71.51 110.856 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.84 172.94 46.95 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 -1.798 . . . . 63.12 112.324 0.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.14 154.2 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 64.45 111.173 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.91 127.11 54.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.852 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 pt -153.78 172.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.04 111.106 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.41 153.31 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.894 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.54 139.33 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.31 110.904 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.4 m -94.32 85.84 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.911 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.16 45.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 54.34 112.515 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.1 p -135.43 167.16 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 55.35 110.883 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 35.24 44.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 31.12 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 61.03 61.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 71.1 110.848 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 87.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -57.32 -56.98 14.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.845 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.03 116.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.899 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.9 173.46 23.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 72.13 112.529 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ttm -101.94 126.44 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.19 159.97 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 63.21 110.847 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.81 148.46 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -60.9 -17.52 51.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.847 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 52.15 111.165 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.926 0.393 . . . . 74.11 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.1 m 62.9 94.14 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 62.41 111.115 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.69 -171.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.813 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.9 p90 -178.36 159.35 1.14 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.671 0.748 . . . . 64.02 110.839 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.75 173.26 45.28 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 -1.78 . . . . 72.32 112.382 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.53 154.1 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 65.03 111.144 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.81 127.22 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.882 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -153.82 172.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 55.44 111.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.59 152.91 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 74.23 110.886 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.2 139.44 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.928 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 m -94.24 85.56 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.52 110.863 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.34 46.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 62.01 112.482 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.6 p -135.66 167.01 21.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 70.11 110.907 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.41 44.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 54.25 110.833 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 61.16 61.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.882 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.4 86.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 t -57.12 -56.58 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 63.11 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -46.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 71.42 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.01 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.879 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.95 173.45 23.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 70.2 112.526 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.9 ttp -101.9 126.44 48.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 75.05 110.867 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.15 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.9 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.6 m -104.8 148.47 26.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.84 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.42 52.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.857 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.2 111.155 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 72.14 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.5 pt -155.27 179.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.119 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.25 155.19 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.37 143.55 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.52 110.872 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.7 m -95.13 87.2 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.43 48.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 63.4 112.485 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.4 p -138.07 164.35 29.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 71.31 110.868 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 34.52 45.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.4 110.876 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.77 62.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.857 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.51 78.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -51.97 -54.23 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.17 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.95 116.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 44.41 110.874 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.07 172.16 23.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 55.2 112.472 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.0 128.97 55.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 72.5 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.9 m -149.95 169.63 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.0 m -102.95 146.17 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.867 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -17.83 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 70.25 111.132 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.837 0.351 . . . . 43.21 110.888 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 pt -153.74 171.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.101 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.15 153.21 27.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.22 142.64 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 70.44 110.877 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.09 87.84 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 53.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.7 48.98 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.46 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -138.14 162.95 32.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 63.43 110.908 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.39 42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 44.13 110.916 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 64.3 60.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.845 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -150.54 78.43 1.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 74.24 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -51.85 -54.0 34.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.856 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 72.02 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.4 115.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.925 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.0 174.7 23.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 61.31 112.429 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 ttp -103.57 126.55 50.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 73.23 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.22 160.34 38.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.884 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 m -104.89 148.55 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.926 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -18.03 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.155 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.9 0.381 . . . . 71.21 110.79 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 7' ' ' CYS . 10.0 pt -155.27 179.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 70.31 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.72 155.33 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 143.41 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.6 m -95.05 87.18 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.806 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.4 48.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.2 p -137.97 164.27 29.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 74.52 110.835 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.8 p 34.53 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.0 62.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 63.25 110.782 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 78.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.854 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -52.09 -53.97 35.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.78 116.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.33 110.887 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.24 172.06 23.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.817 -0.706 . . . . 64.34 112.516 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.9 ttp -109.79 129.55 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 55.44 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.3 m -150.2 169.74 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 14.2 m -103.22 146.98 27.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.854 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -18.27 43.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.12 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.807 0.337 . . . . 73.34 110.846 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.52 178.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.127 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -84.14 152.9 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.844 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.16 142.99 6.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 65.12 112.439 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' CYS . 25.8 p -137.57 164.1 29.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 75.11 110.857 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.6 p 34.45 45.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.6 m80 61.56 62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.802 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -153.45 78.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 t -52.1 -53.43 42.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.783 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -51.1 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.893 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.55 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 54.24 110.871 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.5 172.63 22.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.654 -0.784 . . . . 72.34 112.425 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 14.3 ttp -109.67 126.55 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 73.43 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -149.74 170.68 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.7 m -102.92 146.53 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.931 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.75 -17.53 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.779 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 71.25 111.178 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.73 0.3 . . . . 73.15 110.874 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 pt -153.63 171.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.217 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.15 153.22 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 70.1 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.06 143.07 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 41.04 110.871 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.36 87.77 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.74 48.86 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 54.43 112.488 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.7 p -138.08 163.16 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 70.31 110.888 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.22 42.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 70.53 110.968 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.35 60.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 71.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 78.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.847 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -51.9 -53.96 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.843 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.86 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.931 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.917 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.99 174.72 23.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.769 -0.729 . . . . 44.13 112.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.51 126.3 50.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 63.32 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.2 160.14 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.88 148.16 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -60.97 -17.39 51.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.143 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.874 0.369 . . . . 45.44 110.84 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -153.64 171.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 75.24 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.01 153.42 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.836 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.32 142.97 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.52 110.938 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -94.34 87.53 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.94 48.7 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 72.1 112.437 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -137.75 163.2 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 71.41 110.915 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.3 42.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.88 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 64.18 60.79 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.815 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.67 78.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -51.84 -53.83 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -50.88 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 70.34 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.33 116.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.825 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 174.74 23.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.672 -0.775 . . . . 63.52 112.48 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.44 126.44 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.21 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.25 160.18 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 74.02 110.828 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.85 148.38 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 71.32 110.871 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -17.44 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.14 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.41 111.114 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.857 0.361 . . . . 60.44 110.863 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 pt -153.65 171.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.11 111.163 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.22 153.72 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.93 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 143.34 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.9 m -94.78 87.24 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.28 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 62.15 112.467 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.1 p -137.48 163.28 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.379 . . . . 74.12 110.821 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.2 p 36.25 42.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 65.31 110.944 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 64.38 60.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.827 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -150.62 78.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 64.01 110.887 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -51.81 -53.44 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.429 . . . . 73.32 110.908 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -51.0 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.916 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.26 116.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 42.53 110.912 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.75 174.72 23.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 42.2 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -103.28 126.31 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 74.42 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.28 160.07 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.878 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.8 148.35 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.829 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -17.5 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.902 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 65.43 111.082 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 74.22 110.859 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -153.79 171.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 62.21 111.156 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.96 153.59 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 74.53 110.914 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.47 143.22 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.826 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.1 m -94.58 87.28 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 25.4 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.22 48.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.3 p -137.51 163.16 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 65.25 110.912 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.38 42.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 63.31 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 64.35 60.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.8 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -150.75 78.52 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.01 -53.6 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 71.24 110.788 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.859 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.32 116.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 53.4 110.927 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.54 174.76 23.28 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 63.43 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.41 126.35 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.4 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.26 160.18 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.23 110.86 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.1 m -104.81 148.41 26.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -60.93 -17.46 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.934 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 72.13 111.124 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.805 0.336 . . . . 65.21 110.915 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -153.67 171.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.132 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.35 153.27 25.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.954 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.07 142.79 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 64.33 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.4 m -94.09 87.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.43 110.835 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.02 49.07 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 74.23 112.448 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.9 p -138.36 163.11 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.31 42.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 61.44 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 64.21 60.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 63.01 110.846 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.69 78.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.876 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -51.96 -53.99 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 72.3 110.935 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.96 116.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.948 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.22 174.59 23.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.486 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.51 126.34 50.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.42 110.833 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -136.16 160.06 39.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.5 m -104.86 148.46 26.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 32.22 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.45 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.854 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 73.44 111.135 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.813 0.34 . . . . 70.4 110.913 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 pt -153.49 171.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.95 153.42 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.923 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 143.97 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 62.1 m -95.62 87.79 4.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 42.12 110.885 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.7 46.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 73.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 26.2 p -136.03 164.27 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 65.1 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.06 45.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.849 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 61.12 62.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.65 78.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.9 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -51.66 -53.97 33.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.9 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 62.23 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.35 116.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 61.33 110.833 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.39 174.56 22.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 74.21 112.496 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.4 ttm -103.83 126.42 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 55.41 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -136.16 160.2 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.896 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.92 148.18 26.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.11 -17.27 51.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.12 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.05 111.195 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 73.22 110.902 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 pt -153.63 171.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.122 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.44 153.51 25.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.33 143.46 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.8 m -94.78 87.34 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 55.45 110.835 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.11 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.1 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.55 163.3 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 60.14 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.5 p 36.29 42.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.95 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 64.29 60.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 71.01 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -150.67 78.54 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 70.1 110.841 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -51.92 -53.59 39.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 60.45 110.903 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 74.52 110.883 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.888 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.74 174.74 23.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.467 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -103.45 126.45 50.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 50.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.16 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.01 110.945 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.91 148.41 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.82 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.8 -17.62 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.898 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.2 111.106 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 35.04 110.879 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.5 pt -155.49 179.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.165 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.94 155.52 21.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.11 110.863 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.23 138.73 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.4 m -93.64 85.95 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 41.31 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.91 41.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 71.42 112.521 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.2 p -132.18 164.89 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 51.25 110.916 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.3 p 34.33 45.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.52 110.926 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 60.4 75.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -168.95 80.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.22 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -52.26 -52.47 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.813 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -50.31 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 63.3 110.83 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.21 116.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 50.1 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.12 170.97 23.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.825 -0.703 . . . . 55.32 112.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttm -110.05 127.8 55.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 74.14 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 m -149.25 169.7 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.79 146.28 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.856 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -17.82 44.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.096 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.885 0.374 . . . . 52.55 110.838 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 7' ' ' CYS . 8.8 pt -155.34 179.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 65.3 111.173 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.07 156.23 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.87 138.55 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.879 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 65.7 m -93.66 85.96 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 65.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.03 41.66 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.661 -0.78 . . . . 74.31 112.448 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.0 p -132.08 164.82 25.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 74.22 110.856 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.4 p 34.32 45.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.875 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 60.39 75.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -169.64 80.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.886 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 t -52.23 -52.56 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.814 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -50.32 -82.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.31 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.05 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.74 170.89 22.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 41.25 112.51 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ttt -110.28 127.69 55.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.32 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.13 169.74 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 53.33 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.78 146.38 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 53.44 110.933 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -59.96 -18.13 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.938 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 54.21 111.178 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.867 0.365 . . . . 73.32 110.826 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.39 178.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 72.34 111.133 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.08 152.19 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.36 142.52 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.885 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 67.1 m -94.39 87.75 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.887 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.06 48.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 71.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.6 p -138.85 164.3 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 44.52 110.84 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.2 p 34.36 46.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.24 110.839 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 61.1 62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.24 110.835 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -153.29 80.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -55.11 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.821 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.54 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.901 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.79 115.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.3 110.896 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.28 172.0 22.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 63.24 112.544 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.8 ttp -110.1 126.66 54.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 74.14 110.851 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.9 m -149.42 170.57 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 60.12 110.81 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.6 m -102.96 146.92 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.03 110.931 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -59.96 -18.17 43.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.825 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.162 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.87 0.367 . . . . 73.31 110.837 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.8 pt -155.14 179.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.3 111.144 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -88.96 152.31 21.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.876 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.77 140.67 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 72.54 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.8 m -94.54 85.2 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.13 110.868 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.9 46.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 73.24 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.4 p -138.52 168.27 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 73.34 110.911 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' CYS . 28.1 p 33.0 49.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.907 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 57.59 64.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.14 110.83 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.51 88.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.893 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.4 t -58.33 -59.78 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 61.13 110.877 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.846 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 179.51 115.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.904 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.07 170.68 22.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 62.12 112.482 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -110.11 127.45 54.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 71.14 110.871 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.2 m -148.5 169.1 21.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.837 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.7 m -103.33 147.09 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.86 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -60.53 -17.77 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 51.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 71.31 111.118 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.379 . . . . 72.02 110.85 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.1 pt -155.04 179.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.088 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.5 155.15 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.43 110.839 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 142.66 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.7 m -94.58 86.11 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.936 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.99 48.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 74.31 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' CYS . 27.3 p -139.2 165.06 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 71.23 110.925 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.0 p 34.15 46.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 54.31 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 63.51 110.853 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.89 69.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.4 110.864 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -49.54 -34.31 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.909 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -79.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.51 . . . . 70.14 110.865 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.06 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.888 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.24 171.86 24.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 54.53 112.465 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.9 ttm -109.2 127.92 54.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 60.45 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -149.53 169.44 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 62.05 110.865 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.4 m -102.86 146.57 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -17.72 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.149 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 74.1 110.836 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -161.26 179.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.196 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.84 154.85 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.86 138.97 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 52.24 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 50.3 m -93.72 84.7 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 51.31 110.94 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 62.42 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' CYS . 28.2 p -125.99 165.58 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 74.25 110.911 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.8 p 34.63 45.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.925 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 60.54 62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.852 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.75 79.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.855 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -51.82 -48.91 63.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -50.97 -85.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 74.44 110.954 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.61 116.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 61.53 110.884 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.45 172.55 24.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 74.03 112.494 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 ttm -107.32 124.77 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 74.53 110.794 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.2 m -148.94 171.01 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.5 m -101.5 145.4 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 54.21 110.825 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -60.23 -17.75 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.096 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 64.22 110.86 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -153.59 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.095 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.37 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 53.21 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 142.87 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.3 m -94.44 87.74 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 30.14 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.77 48.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 70.5 112.465 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.67 163.07 32.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 73.4 110.902 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.26 42.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.23 110.888 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.13 60.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.894 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.39 78.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.852 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 t -52.04 -53.58 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 55.02 110.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.88 -82.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.23 116.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 63.23 110.852 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.43 174.74 23.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 25.25 112.448 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.9 ttp -103.53 126.44 50.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 63.41 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.11 160.07 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.915 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 15.3 m -104.53 147.93 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 61.43 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -17.94 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.89 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 72.21 111.132 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 72.53 110.852 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 pt -153.78 172.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.04 111.106 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.41 153.31 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.894 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.54 139.33 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.31 110.904 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.4 m -94.32 85.84 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.911 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.16 45.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 54.34 112.515 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.1 p -135.43 167.16 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 55.35 110.883 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 35.24 44.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 31.12 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 61.03 61.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 71.1 110.848 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 87.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -57.32 -56.98 14.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.845 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.03 116.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.899 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.9 173.46 23.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 72.13 112.529 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ttm -101.94 126.44 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.19 159.97 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 63.21 110.847 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.81 148.46 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -60.9 -17.52 51.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.847 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 52.15 111.165 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.849 0.357 . . . . 74.24 110.882 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -153.82 172.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 55.44 111.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.59 152.91 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 74.23 110.886 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.2 139.44 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.928 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 m -94.24 85.56 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.52 110.863 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.34 46.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 62.01 112.482 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.6 p -135.66 167.01 21.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 70.11 110.907 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.41 44.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 54.25 110.833 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 61.16 61.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.882 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.4 86.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 t -57.12 -56.58 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 63.11 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -46.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 71.42 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.01 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.879 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.95 173.45 23.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 70.2 112.526 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.9 ttp -101.9 126.44 48.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 75.05 110.867 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.15 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.9 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.6 m -104.8 148.47 26.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.84 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.42 52.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.857 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.2 111.155 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 63.21 110.88 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.9 t -133.55 150.06 51.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.55 111.134 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -78.1 171.99 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.21 110.851 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.7 p90 -147.68 159.37 41.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 72.42 110.877 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.78 173.37 44.94 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 -1.795 . . . . 72.54 112.324 0.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.22 153.38 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.131 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.43 121.41 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.887 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.5 pt -155.27 179.36 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.33 111.119 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.25 155.19 19.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.37 143.55 4.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.52 110.872 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.7 m -95.13 87.2 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.43 48.43 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 63.4 112.485 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.4 p -138.07 164.35 29.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 71.31 110.868 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 34.52 45.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.4 110.876 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.77 62.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.857 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.51 78.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.9 t -51.97 -54.23 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 45.13 110.864 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.17 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 64.2 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.95 116.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 44.41 110.874 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.07 172.16 23.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 55.2 112.472 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.0 128.97 55.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 72.5 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.9 m -149.95 169.63 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.0 m -102.95 146.17 28.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.867 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -17.83 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 70.25 111.132 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.893 0.377 . . . . 73.42 110.951 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -23.3 25.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 53.24 111.182 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.425 ' HA ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER 63.41 84.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 55.13 110.822 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 51.97 87.44 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 62.44 110.815 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 161.19 86.42 Favored 'Cis proline' 0 C--O 1.232 0.214 0 C-N-CA 122.75 -1.771 . . . . 75.15 112.4 -0.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 HG23 ' HA ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -121.26 132.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 71.33 111.124 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.58 125.88 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 43.21 110.888 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 pt -153.74 171.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.101 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.15 153.21 27.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.22 142.64 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 70.44 110.877 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.09 87.84 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 53.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.7 48.98 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 75.33 112.46 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -138.14 162.95 32.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 63.43 110.908 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.39 42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 44.13 110.916 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 t60 64.3 60.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.845 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -150.54 78.43 1.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 74.24 110.872 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.5 t -51.85 -54.0 34.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.856 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 72.02 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.4 115.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.925 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.0 174.7 23.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 61.31 112.429 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 ttp -103.57 126.55 50.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 73.23 110.832 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.22 160.34 38.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.884 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.7 m -104.89 148.55 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.926 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -18.03 47.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.897 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.155 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.94 0.4 . . . . 75.32 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m 64.11 67.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 64.43 111.152 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -110.45 92.88 4.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.87 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 8.8 m-85 -121.68 158.43 54.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 63.11 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.1 Cg_endo -69.83 177.66 28.28 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 -1.813 . . . . 70.13 112.333 0.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -121.84 135.87 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 73.02 111.145 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.22 120.15 41.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.21 110.79 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 7' ' ' CYS . 10.0 pt -155.27 179.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 70.31 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.72 155.33 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 143.41 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 61.6 m -95.05 87.18 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.806 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.4 48.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 74.44 112.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.2 p -137.97 164.27 29.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 74.52 110.835 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.8 p 34.53 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 t60 62.0 62.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 63.25 110.782 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 78.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.854 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.1 t -52.09 -53.97 35.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.867 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.78 116.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 54.33 110.887 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.24 172.06 23.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.817 -0.706 . . . . 64.34 112.516 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.9 ttp -109.79 129.55 55.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 55.44 110.904 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.3 m -150.2 169.74 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 14.2 m -103.22 146.98 27.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 64.13 110.854 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -18.27 43.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 74.14 111.12 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.874 0.369 . . . . 63.11 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m -111.94 120.69 42.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.33 111.152 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.99 -170.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.884 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.8 p90 -177.49 159.35 1.34 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 75.31 110.934 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.6 Cg_endo -69.76 173.15 45.76 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.607 -1.83 . . . . 73.11 112.342 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.12 153.61 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.33 111.114 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -107.8 122.94 47.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.846 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.52 178.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.127 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -84.14 152.9 24.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.844 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.16 142.99 6.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.876 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -94.75 87.0 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 65.12 112.439 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' CYS . 25.8 p -137.57 164.1 29.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 75.11 110.857 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.6 p 34.45 45.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.875 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.6 m80 61.56 62.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.802 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -153.45 78.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 t -52.1 -53.43 42.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.783 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -51.1 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.893 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.55 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 54.24 110.871 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.5 172.63 22.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.654 -0.784 . . . . 72.34 112.425 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 14.3 ttp -109.67 126.55 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 73.43 110.904 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -149.74 170.68 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.23 110.851 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.7 m -102.92 146.53 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.5 110.931 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -60.75 -17.53 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.779 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 71.25 111.178 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.888 0.375 . . . . 64.45 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.77 127.66 54.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 61.23 111.186 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 167.78 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.859 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.4 p90 -139.03 159.28 67.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 74.33 110.901 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.78 173.3 45.22 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 -1.807 . . . . 73.54 112.359 -0.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.41 153.67 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.33 111.151 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.27 127.46 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.874 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 pt -153.63 171.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 62.14 111.217 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.15 153.22 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 70.1 110.86 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.06 143.07 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 41.04 110.871 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.9 m -94.36 87.77 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.74 48.86 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 54.43 112.488 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.7 p -138.08 163.16 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 70.31 110.888 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.22 42.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 70.53 110.968 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.35 60.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 71.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.54 78.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.847 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.7 t -51.9 -53.96 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.843 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.86 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.931 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.917 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.99 174.72 23.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.769 -0.729 . . . . 44.13 112.525 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ttm -103.51 126.3 50.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 63.32 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.792 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.2 160.14 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.88 148.16 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -60.97 -17.39 51.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.143 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.966 0.412 . . . . 55.55 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.45 161.47 40.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 70.33 111.125 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.72 -176.42 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.813 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.2 p90 -175.83 159.38 1.94 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.733 . . . . 75.22 110.864 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.8 172.66 48.13 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 -1.799 . . . . 73.25 112.322 0.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.71 152.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.32 111.159 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.21 127.26 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 45.44 110.84 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -153.64 171.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 75.24 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.01 153.42 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.836 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.32 142.97 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.52 110.938 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -94.34 87.53 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.94 48.7 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 72.1 112.437 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.5 p -137.75 163.2 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 71.41 110.915 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.3 42.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 62.15 110.88 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 64.18 60.79 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.815 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.67 78.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.8 t -51.84 -53.83 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -50.88 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 70.34 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.33 116.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.825 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.38 174.74 23.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.672 -0.775 . . . . 63.52 112.48 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.44 126.44 50.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.21 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.787 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.25 160.18 39.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 74.02 110.828 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.85 148.38 26.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 71.32 110.871 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.01 -17.44 52.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.14 110.938 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.41 111.114 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.912 0.386 . . . . 53.41 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.67 119.23 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.02 111.189 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -91.49 158.4 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 51.5 110.851 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.514 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.0 OUTLIER -137.69 159.29 69.53 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.647 0.737 . . . . 71.2 110.87 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.79 173.64 43.89 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 -1.814 . . . . 74.02 112.369 0.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.78 154.66 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 62.42 111.171 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.54 127.77 54.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 60.44 110.863 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 pt -153.65 171.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.11 111.163 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.22 153.72 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.93 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 143.34 3.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.9 m -94.78 87.24 4.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.919 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.28 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 62.15 112.467 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.1 p -137.48 163.28 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.379 . . . . 74.12 110.821 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.2 p 36.25 42.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 65.31 110.944 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 64.38 60.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.827 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -150.62 78.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 64.01 110.887 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -51.81 -53.44 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.002 0.429 . . . . 73.32 110.908 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -51.0 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.916 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.26 116.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 42.53 110.912 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.75 174.72 23.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.788 -0.72 . . . . 42.2 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -103.28 126.31 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.333 . . . . 74.42 110.88 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.28 160.07 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.878 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.8 148.35 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.829 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -17.5 51.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.902 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 65.43 111.082 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 72.34 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -121.54 105.09 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 75.32 111.199 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -104.0 166.58 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 73.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER -178.07 159.35 1.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.663 0.744 . . . . 65.51 110.868 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.7 Cg_endo -69.75 172.6 48.21 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 -1.791 . . . . 71.31 112.322 0.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.77 153.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.129 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.26 127.45 54.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.22 110.859 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 pt -153.79 171.73 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 62.21 111.156 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.96 153.59 26.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 74.53 110.914 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.47 143.22 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.826 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.1 m -94.58 87.28 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 25.4 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.22 48.67 0.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.3 p -137.51 163.16 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 65.25 110.912 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.6 p 36.38 42.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 63.31 110.875 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 64.35 60.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.8 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -150.75 78.52 1.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.4 t -52.01 -53.6 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 71.24 110.788 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 73.05 110.859 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.32 116.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 53.4 110.927 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.54 174.76 23.28 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.702 -0.761 . . . . 63.43 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.41 126.35 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 72.4 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.78 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.26 160.18 39.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 64.23 110.86 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.1 m -104.81 148.41 26.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.88 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -60.93 -17.46 51.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.934 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 72.13 111.124 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.905 0.383 . . . . 75.52 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -136.87 156.93 47.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.13 111.168 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -81.55 -170.13 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 52.01 110.865 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.5 p90 -171.54 159.34 4.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 71.02 110.908 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.8 173.31 45.28 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 -1.807 . . . . 74.21 112.317 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.39 153.72 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 73.54 111.201 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.4 127.65 54.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 65.21 110.915 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -153.67 171.85 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.132 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.35 153.27 25.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.954 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.07 142.79 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 64.33 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.4 m -94.09 87.46 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.43 110.835 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.02 49.07 0.42 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 74.23 112.448 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.9 p -138.36 163.11 32.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.856 0.36 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.31 42.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 61.44 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 64.21 60.8 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 63.01 110.846 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.69 78.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.876 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -51.96 -53.99 34.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.874 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 72.3 110.935 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.96 116.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.948 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.22 174.59 23.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.486 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.51 126.34 50.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.42 110.833 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.797 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.7 OUTLIER -136.16 160.06 39.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.919 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.5 m -104.86 148.46 26.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 32.22 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.45 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.854 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 73.44 111.135 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.941 0.4 . . . . 71.23 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.08 126.51 35.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 53.51 111.119 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -86.33 -178.34 6.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.854 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.9 p90 -178.85 159.33 1.02 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.709 0.766 . . . . 74.5 110.896 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 52.7 Cg_endo -69.86 172.21 50.47 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 -1.803 . . . . 62.43 112.287 0.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.26 152.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.15 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -108.87 127.07 53.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 70.4 110.913 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 pt -153.49 171.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.95 153.42 26.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.923 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 143.97 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 62.1 m -95.62 87.79 4.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 42.12 110.885 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.7 46.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 73.44 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 26.2 p -136.03 164.27 28.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.926 0.393 . . . . 65.1 110.884 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.06 45.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.849 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 61.12 62.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.65 78.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.9 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.4 t -51.66 -53.97 33.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.9 -82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 62.23 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.35 116.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 61.33 110.833 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.39 174.56 22.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 74.21 112.496 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.4 ttm -103.83 126.42 50.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 55.41 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -136.16 160.2 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.896 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.4 m -104.92 148.18 26.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.11 -17.27 51.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.12 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.05 111.195 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 54.1 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -51.82 155.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.03 111.176 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -154.67 146.52 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.85 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.523 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 3.5 p90 -50.83 157.52 1.34 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 53.42 110.893 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.8 Cg_endo -69.83 173.95 42.78 Favored 'Cis proline' 0 C--O 1.233 0.225 0 C-N-CA 122.639 -1.817 . . . . 73.54 112.34 0.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.94 154.03 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 63.03 111.044 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.46 127.82 54.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.902 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 pt -153.63 171.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.24 111.122 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.44 153.51 25.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.865 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.33 143.46 4.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.867 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 57.8 m -94.78 87.34 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 55.45 110.835 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.11 48.63 0.43 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.1 112.48 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.55 163.3 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 60.14 110.886 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.5 p 36.29 42.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.95 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 64.29 60.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 71.01 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -150.67 78.54 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 70.1 110.841 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -51.92 -53.59 39.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 60.45 110.903 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 74.52 110.883 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.37 116.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.888 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.74 174.74 23.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.11 112.467 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.2 ttp -103.45 126.45 50.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 50.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.16 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.01 110.945 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.8 m -104.91 148.41 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.82 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.8 -17.62 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.898 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.2 111.106 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.809 0.337 . . . . 73.24 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.82 132.32 34.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 71.21 111.121 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -106.76 161.61 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.01 110.866 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.3 p90 -172.77 159.35 3.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.628 0.728 . . . . 71.13 110.888 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.0 Cg_endo -69.83 173.35 45.21 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 -1.82 . . . . 64.15 112.306 0.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.21 153.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 65.21 111.172 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.65 121.04 43.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 35.04 110.879 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.5 pt -155.49 179.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.165 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.94 155.52 21.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.11 110.863 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.23 138.73 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 70.44 110.887 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 63.4 m -93.64 85.95 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 41.31 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.91 41.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 71.42 112.521 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.2 p -132.18 164.89 25.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 51.25 110.916 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.3 p 34.33 45.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.52 110.926 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 60.4 75.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -168.95 80.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.22 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -52.26 -52.47 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.813 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -50.31 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 63.3 110.83 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.21 116.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 50.1 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.12 170.97 23.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.825 -0.703 . . . . 55.32 112.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttm -110.05 127.8 55.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 74.14 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 m -149.25 169.7 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.842 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.79 146.28 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.856 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -17.82 44.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.096 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.863 0.363 . . . . 73.53 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -147.38 86.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 75.12 111.144 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -150.2 142.28 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.923 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.8 p90 -178.58 159.37 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.771 0.796 . . . . 74.24 110.815 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.9 Cg_endo -69.79 172.74 47.66 Favored 'Cis proline' 0 C--N 1.343 0.241 0 C-N-CA 122.62 -1.825 . . . . 71.31 112.4 -0.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.68 153.7 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 71.34 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.77 121.16 43.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 52.55 110.838 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 7' ' ' CYS . 8.8 pt -155.34 179.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 65.3 111.173 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.07 156.23 21.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 75.14 110.941 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.87 138.55 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.879 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 65.7 m -93.66 85.96 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 65.41 110.882 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.03 41.66 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.661 -0.78 . . . . 74.31 112.448 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.0 p -132.08 164.82 25.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 74.22 110.856 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.4 p 34.32 45.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.875 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 60.39 75.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.912 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -169.64 80.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.886 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.5 t -52.23 -52.56 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.814 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -50.32 -82.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.31 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.05 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.74 170.89 22.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 41.25 112.51 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ttt -110.28 127.69 55.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 73.32 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.13 169.74 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 53.33 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.1 m -102.78 146.38 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 53.44 110.933 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -59.96 -18.13 43.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.938 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 54.21 111.178 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.875 0.369 . . . . 51.22 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -119.7 -172.7 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 63.1 111.134 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.521 ' HA ' HG23 ' A' ' 6' ' ' ILE . 19.6 m170 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 74.25 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 28.0 m-85 63.26 86.17 0.15 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.75 . . . . 70.44 110.89 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.8 159.35 89.95 Favored 'Cis proline' 0 C--O 1.232 0.224 0 C-N-CA 122.691 -1.795 . . . . 43.55 112.364 0.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.521 HG23 ' HA ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -122.47 134.58 65.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 53.44 111.087 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -107.14 122.09 45.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.826 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -160.39 178.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 72.34 111.133 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.08 152.19 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.847 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.36 142.52 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.885 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 67.1 m -94.39 87.75 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.887 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.06 48.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 71.31 112.503 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' CYS . 26.6 p -138.85 164.3 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 44.52 110.84 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.2 p 34.36 46.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 74.24 110.839 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 61.1 62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.24 110.835 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -153.29 80.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -55.11 30.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.821 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -50.54 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.901 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.79 115.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.3 110.896 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.28 172.0 22.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 63.24 112.544 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.8 ttp -110.1 126.66 54.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 74.14 110.851 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.9 m -149.42 170.57 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 60.12 110.81 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.6 m -102.96 146.92 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.03 110.931 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -59.96 -18.17 43.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.825 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.162 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.817 0.342 . . . . 62.21 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -155.68 146.43 22.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 50.1 111.162 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.1 170.85 12.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.867 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 0.7 OUTLIER -170.54 159.32 5.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 73.4 110.951 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.1 Cg_endo -69.73 174.86 38.74 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.697 -1.793 . . . . 73.1 112.332 -0.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -152.9 155.45 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 53.51 111.112 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.34 122.98 47.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.837 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 7' ' ' CYS . 9.8 pt -155.14 179.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.3 111.144 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' MET . 0.6 OUTLIER -88.96 152.31 21.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.876 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.77 140.67 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 72.54 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 59.8 m -94.54 85.2 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.13 110.868 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.9 46.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 73.24 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' CYS . 17.4 p -138.52 168.27 20.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 73.34 110.911 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' CYS . 28.1 p 33.0 49.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.907 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 57.59 64.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.14 110.83 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.51 88.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.893 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.4 t -58.33 -59.78 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 61.13 110.877 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.84 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.846 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 179.51 115.98 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.904 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.07 170.68 22.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.696 -0.764 . . . . 62.12 112.482 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -110.11 127.45 54.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 71.14 110.871 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.2 m -148.5 169.1 21.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.837 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.7 m -103.33 147.09 27.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 60.35 110.86 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -60.53 -17.77 47.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 51.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 71.31 111.118 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.899 0.38 . . . . 75.51 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 p -88.65 77.46 7.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.34 111.149 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.07 178.25 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 72.3 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.3 p90 -169.84 159.33 6.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.702 0.763 . . . . 74.54 110.806 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.3 Cg_endo -69.76 174.12 41.84 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 -1.816 . . . . 62.53 112.315 -0.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.88 154.81 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 64.13 111.118 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -106.57 122.14 45.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.85 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' CYS . 7.1 pt -155.04 179.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.088 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.5 155.15 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.43 110.839 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -166.9 142.66 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.7 m -94.58 86.11 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.936 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.99 48.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 74.31 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' CYS . 27.3 p -139.2 165.06 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 71.23 110.925 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.0 p 34.15 46.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 54.31 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 61.77 66.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 63.51 110.853 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.89 69.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 73.4 110.864 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -49.54 -34.31 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.909 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -79.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.51 . . . . 70.14 110.865 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.06 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.888 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.24 171.86 24.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 54.53 112.465 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.9 ttm -109.2 127.92 54.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 60.45 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 50.3 m -149.53 169.44 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 62.05 110.865 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 13.4 m -102.86 146.57 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -17.72 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.149 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.869 0.366 . . . . 63.23 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.39 123.04 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 31.31 111.217 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -73.69 170.33 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.871 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.518 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.2 p90 -143.43 159.37 55.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.759 . . . . 75.31 110.875 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.4 Cg_endo -69.72 172.63 47.96 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 -1.801 . . . . 72.23 112.323 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -150.5 153.06 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 64.43 111.135 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -106.97 120.79 43.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.1 110.836 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 7' ' ' CYS . 1.1 pp -161.26 179.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.196 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.84 154.85 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.86 138.97 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 52.24 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 50.3 m -93.72 84.7 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 51.31 110.94 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 62.42 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' CYS . 28.2 p -125.99 165.58 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 74.25 110.911 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.8 p 34.63 45.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.925 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 60.54 62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.852 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.75 79.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.855 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -51.82 -48.91 63.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.906 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -50.97 -85.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 74.44 110.954 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.61 116.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 61.53 110.884 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.45 172.55 24.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 74.03 112.494 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.1 ttm -107.32 124.77 50.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 74.53 110.794 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.2 m -148.94 171.01 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.86 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.5 m -101.5 145.4 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 54.21 110.825 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -60.23 -17.75 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.865 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.096 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.825 0.345 . . . . 71.23 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.9 p -103.69 95.3 5.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 73.42 111.097 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.68 -169.85 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.899 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER 179.4 97.95 0.17 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 75.04 110.876 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 53.7 Cg_endo -69.75 172.42 49.01 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 -1.81 . . . . 65.13 112.314 -0.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mp -113.37 124.81 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 54.24 111.184 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -107.3 126.0 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 64.22 110.86 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 pt -153.59 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.095 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.7 153.37 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 53.21 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.55 142.87 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.3 m -94.44 87.74 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 30.14 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.77 48.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 70.5 112.465 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 25.4 p -137.67 163.07 32.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 73.4 110.902 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 13' ' ' CYS . 24.8 p 36.26 42.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 71.23 110.888 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.13 60.76 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.894 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.39 78.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.852 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 t -52.04 -53.58 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 55.02 110.784 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.88 -82.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 177.23 116.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 63.23 110.852 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.43 174.74 23.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 25.25 112.448 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.9 ttp -103.53 126.44 50.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 63.41 110.876 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.784 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.8 OUTLIER -136.11 160.07 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.43 110.915 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 15.3 m -104.53 147.93 27.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 61.43 110.899 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -17.94 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.89 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 72.21 111.132 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.627 ' OD2' HG22 ' A' ' 2' ' ' THR . 3.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.804 0.335 . . . . 60.33 110.864 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.627 HG22 ' OD2' ' A' ' 1' ' ' ASP . 15.0 t -164.93 153.8 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 45.04 111.129 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 53.25 88.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 75.3 110.795 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 2.6 p90 -136.48 159.33 71.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.696 0.76 . . . . 71.51 110.856 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 53.5 Cg_endo -69.84 172.94 46.95 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 -1.798 . . . . 63.12 112.324 0.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.14 154.2 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 64.45 111.173 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.91 127.11 54.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.852 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.5 pt -153.78 172.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 74.04 111.106 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.41 153.31 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.894 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.54 139.33 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 64.31 110.904 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 53.4 m -94.32 85.84 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.911 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.16 45.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 54.34 112.515 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.1 p -135.43 167.16 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 55.35 110.883 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.7 p 35.24 44.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 31.12 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 61.03 61.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 71.1 110.848 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.31 87.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.87 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -57.32 -56.98 14.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.845 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -84.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.03 116.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.899 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.9 173.46 23.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 72.13 112.529 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ttm -101.94 126.44 48.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.19 159.97 40.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 63.21 110.847 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.2 m -104.81 148.46 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -60.9 -17.52 51.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.847 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 52.15 111.165 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.926 0.393 . . . . 74.11 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.1 m 62.9 94.14 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 62.41 111.115 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.69 -171.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.813 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 5' ' ' PRO . 1.9 p90 -178.36 159.35 1.14 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.671 0.748 . . . . 64.02 110.839 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 4' ' ' PHE . 54.0 Cg_endo -69.75 173.26 45.28 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.727 -1.78 . . . . 72.32 112.382 -0.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.53 154.1 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 65.03 111.144 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -109.81 127.22 54.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.882 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.7 pt -153.82 172.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 55.44 111.06 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.59 152.91 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 74.23 110.886 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.2 139.44 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.928 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 m -94.24 85.56 4.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.52 110.863 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.34 46.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 62.01 112.482 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.6 p -135.66 167.01 21.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 70.11 110.907 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' CYS . 30.5 p 35.41 44.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 54.25 110.833 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 61.16 61.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.882 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.4 86.69 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 t -57.12 -56.58 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 63.11 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -46.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 71.42 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 178.01 116.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 70.44 110.879 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.95 173.45 23.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 70.2 112.526 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.9 ttp -101.9 126.44 48.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 75.05 110.867 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 0.5 OUTLIER -136.15 159.99 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.9 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 16.6 m -104.8 148.47 26.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.84 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -17.42 52.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.857 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.2 111.155 179.969 . . . . . . . . 0 0 . 1 stop_ save_